N-[(2-chlorophenyl)methyl]-1-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-1-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(2-chlorophenyl)methyl]-1-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0114 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-1-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 597.07 |
| Molecular Formula: | C33 H29 Cl N4 O5 |
| Smiles: | CCOc1ccc(cc1)NC(CN1C(N(C(c2ccc(cc12)C(NCc1ccccc1[Cl])=O)=O)c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4173 |
| logD: | 5.4173 |
| logSw: | -5.7831 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.342 |
| InChI Key: | RTBCLKSZYLSHMI-UHFFFAOYSA-N |