methyl 4-{2-[2-(4-chlorophenyl)-4-oxo-3,4-dihydro-5H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[2-(4-chlorophenyl)-4-oxo-3,4-dihydro-5H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamido}benzoate
methyl 4-{2-[2-(4-chlorophenyl)-4-oxo-3,4-dihydro-5H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | L385-0741 |
| Compound Name: | methyl 4-{2-[2-(4-chlorophenyl)-4-oxo-3,4-dihydro-5H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamido}benzoate |
| Molecular Weight: | 462.89 |
| Molecular Formula: | C24 H19 Cl N4 O4 |
| Smiles: | COC(c1ccc(cc1)NC(CN1C(CC(c2ccc(cc2)[Cl])=Nc2cccnc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0519 |
| logD: | 4.0518 |
| logSw: | -4.5253 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.244 |
| InChI Key: | KXIPHVFHCRHWFG-UHFFFAOYSA-N |