N-{4-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperazine-1-carbonyl]phenyl}acetamide
Chemical Structure Depiction of
N-{4-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperazine-1-carbonyl]phenyl}acetamide
N-{4-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperazine-1-carbonyl]phenyl}acetamide
Compound characteristics
| Compound ID: | F537-0124 |
| Compound Name: | N-{4-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperazine-1-carbonyl]phenyl}acetamide |
| Molecular Weight: | 458.49 |
| Molecular Formula: | C21 H22 N4 O6 S |
| Smiles: | CC(Nc1ccc(cc1)C(N1CCN(CC1)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2089 |
| logD: | 0.2087 |
| logSw: | -2.4165 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.938 |
| InChI Key: | VJEGWDAZPZBEBR-UHFFFAOYSA-N |