N-(3-chloro-4-methoxyphenyl)-1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-4-carboxamide
N-(3-chloro-4-methoxyphenyl)-1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | F184-1334 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-4-carboxamide |
| Molecular Weight: | 514.38 |
| Molecular Formula: | C21 H21 Cl2 N3 O6 S |
| Smiles: | COc1ccc(cc1[Cl])NC(C1CCN(CC1)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5448 |
| logD: | 2.4862 |
| logSw: | -3.3468 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.941 |
| InChI Key: | AJDUTHAXIVFLPN-UHFFFAOYSA-N |