N-{4-[4-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperazine-1-carbonyl]phenyl}acetamide
Chemical Structure Depiction of
N-{4-[4-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperazine-1-carbonyl]phenyl}acetamide
N-{4-[4-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperazine-1-carbonyl]phenyl}acetamide
Compound characteristics
| Compound ID: | F536-0271 |
| Compound Name: | N-{4-[4-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)piperazine-1-carbonyl]phenyl}acetamide |
| Molecular Weight: | 492.94 |
| Molecular Formula: | C21 H21 Cl N4 O6 S |
| Smiles: | CC(Nc1ccc(cc1)C(N1CCN(CC1)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6538 |
| logD: | 0.5952 |
| logSw: | -2.9302 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.938 |
| InChI Key: | TXQLEZDRAYTWIL-UHFFFAOYSA-N |