N-[(4-chlorophenyl)methyl]-1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-4-carboxamide
N-[(4-chlorophenyl)methyl]-1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | F184-0813 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperidine-4-carboxamide |
| Molecular Weight: | 477.97 |
| Molecular Formula: | C22 H24 Cl N3 O5 S |
| Smiles: | Cc1cc2c(cc1S(N1CCC(CC1)C(NCc1ccc(cc1)[Cl])=O)(=O)=O)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0582 |
| logD: | 2.0577 |
| logSw: | -3.0316 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.633 |
| InChI Key: | PVWNYIADWUAFKB-UHFFFAOYSA-N |