Molecule ID: 1628057

IUPAC Name: (5Z)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione

Description: The molecule is a member of the class of barbiturates that is barbituric acid in which one of the nitrogens (position 1) is substituted by a 3,5-dimethylphenyl group while the carbon at position 5 is substituted by a (2E)-(3-[p-(dimethylamino)phenyl]allylidene group. It has significant osteogenic activity. It has a role as an osteogenesis regulator. It is a member of barbiturates and a substituted aniline.

SMILES: Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C/C=C/c3ccc(N(C)C)cc3)C2=O)c1

SELFIES: [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][N][=C][Branch1][C][O][/C][=Branch2][Ring1][Ring1][=C][/C][=C][/C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][Ring2][Ring1][Ring2][=O][=C][Ring2][Ring1][N]

InChI: InChI=1S/C23H23N3O3/c1-15-12-16(2)14-19(13-15)26-22(28)20(21(27)24-23(26)29)7-5-6-17-8-10-18(11-9-17)25(3)4/h5-14H,1-4H3,(H,24,27,29)/b6-5+,20-7-

Molecular Properties:
- Polar Surface Area: 69.7 Ų
- LogP: 4.2