1-(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-(4-chlorophenyl)piperidine-4-carboxamide
Chemical Structure Depiction of
1-(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-(4-chlorophenyl)piperidine-4-carboxamide
1-(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-(4-chlorophenyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E557-2327 |
| Compound Name: | 1-(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)-N-(4-chlorophenyl)piperidine-4-carboxamide |
| Molecular Weight: | 477.97 |
| Molecular Formula: | C22 H24 Cl N3 O5 S |
| Smiles: | CC(N1CCOc2ccc(cc12)S(N1CCC(CC1)C(Nc1ccc(cc1)[Cl])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.762 |
| logD: | 2.7615 |
| logSw: | -3.6343 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.044 |
| InChI Key: | YNEZSQWGXAWXLC-UHFFFAOYSA-N |