N-benzyl-1-[(4-methylphenyl)methyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-benzyl-1-[(4-methylphenyl)methyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-benzyl-1-[(4-methylphenyl)methyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0255 |
| Compound Name: | N-benzyl-1-[(4-methylphenyl)methyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 439.51 |
| Molecular Formula: | C27 H25 N3 O3 |
| Smiles: | Cc1ccc(CN2C(N(CC=C)C(c3ccc(cc23)C(NCc2ccccc2)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5605 |
| logD: | 4.5605 |
| logSw: | -4.3468 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.93 |
| InChI Key: | WPNKDUDJIYYWAC-UHFFFAOYSA-N |