N-[(2-chlorophenyl)methyl]-1-[(2-cyanophenyl)methyl]-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-1-[(2-cyanophenyl)methyl]-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(2-chlorophenyl)methyl]-1-[(2-cyanophenyl)methyl]-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0124 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-1-[(2-cyanophenyl)methyl]-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 535 |
| Molecular Formula: | C31 H23 Cl N4 O3 |
| Smiles: | Cc1ccc(cc1)N1C(c2ccc(cc2N(Cc2ccccc2C#N)C1=O)C(NCc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3078 |
| logD: | 5.3078 |
| logSw: | -5.6616 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.125 |
| InChI Key: | RSHQCUCQIHBZSO-UHFFFAOYSA-N |