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7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione (62459-02-3)

Identification
Name:7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione
Synonyms:7-benzyl-;Pyrido[3,;LogP
CAS:62459-02-3
Molecular Formula: C14H15N3O2
Molecular Weight: 257.29
InChI: InChI=1/C14H15N3O2/c18-13-11-6-7-17(8-10-4-2-1-3-5-10)9-12(11)15-14(19)16-13/h1-5H,6-9H2,(H2,15,16,18,19)
Molecular Structure: (C14H15N3O2) 7-benzyl-;Pyrido[3,;LogP
Properties
Density:1.33 g/cm3
Refractive index:1.652
Specification:

The CAS register number of 7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione is 62459-02-3. The IUPAC name about this chemical is 7-benzyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione.

Physical properties about 7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione are: (1)ACD/LogP: 1.87; (2)ACD/LogD (pH 7.4): 1.5; (3)#H bond acceptors: 5 #H bond donors: 2; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 61.44Å2; (6)Index of Refraction: 1.652; (7)Molar Refractivity: 70.58 cm3; (8)Molar Volume: 192.8 cm3; (9)Polarizability: 27.98x10-24cm3; (10)Surface Tension: 60.8 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2NC=1CN(CCC=1C(=O)N2)Cc3ccccc3
(2)InChI: InChI=1/C14H15N3O2/c18-13-11-6-7-17(8-10-4-2-1-3-5-10)9-12(11)15-14(19)16-13/h1-5H,6-9H2,(H2,15,16,18,19)
(3)InChIKey: DYNBNPAECUWPPS-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C14H15N3O2/c18-13-11-6-7-17(8-10-4-2-1-3-5-10)9-12(11)15-14(19)16-13/h1-5H,6-9H2,(H2,15,16,18,19)
(5)Std. InChIKey: DYNBNPAECUWPPS-UHFFFAOYSA-N

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