N-{2-methyl-3-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperazine-1-carbonyl]phenyl}acetamide
Chemical Structure Depiction of
N-{2-methyl-3-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperazine-1-carbonyl]phenyl}acetamide
N-{2-methyl-3-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperazine-1-carbonyl]phenyl}acetamide
Compound characteristics
| Compound ID: | F537-0004 |
| Compound Name: | N-{2-methyl-3-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperazine-1-carbonyl]phenyl}acetamide |
| Molecular Weight: | 472.52 |
| Molecular Formula: | C22 H24 N4 O6 S |
| Smiles: | CC(Nc1cccc(C(N2CCN(CC2)S(c2ccc3c(c2)NC(CO3)=O)(=O)=O)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3833 |
| logD: | 0.3831 |
| logSw: | -2.4562 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.24 |
| InChI Key: | FYXSFQWNBCRPII-UHFFFAOYSA-N |