1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
Chemical Structure Depiction of
1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | F184-1242 |
| Compound Name: | 1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide |
| Molecular Weight: | 477.97 |
| Molecular Formula: | C22 H24 Cl N3 O5 S |
| Smiles: | Cc1ccc(CNC(C2CCN(CC2)S(c2cc3c(cc2[Cl])NC(CO3)=O)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.1464 |
| logD: | 2.0878 |
| logSw: | -3.1317 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.633 |
| InChI Key: | AGFDBUZJRZOAHN-UHFFFAOYSA-N |