N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C190-0524 |
| Compound Name: | N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 548.04 |
| Molecular Formula: | C29 H30 Cl N5 O4 |
| Smiles: | COc1ccc(CN2C(c3ccc(cc3NC2=O)C(NCCN2CCN(CC2)c2cccc(c2)[Cl])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0298 |
| logD: | 4.005 |
| logSw: | -4.4525 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.522 |
| InChI Key: | RIMUCQKTXZBAFV-UHFFFAOYSA-N |