N-[(4-chlorophenyl)methyl]-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-4-carboxamide
N-[(4-chlorophenyl)methyl]-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | F633-0033 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-4-carboxamide |
| Molecular Weight: | 463.94 |
| Molecular Formula: | C21 H22 Cl N3 O5 S |
| Smiles: | C1CN(CCC1C(NCc1ccc(cc1)[Cl])=O)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8729 |
| logD: | 1.8726 |
| logSw: | -2.9915 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.633 |
| InChI Key: | YSPVCNJUWWPBMP-UHFFFAOYSA-N |