4-methyl-N-{2-oxo-2-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperazin-1-yl]ethyl}benzamide
Chemical Structure Depiction of
4-methyl-N-{2-oxo-2-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperazin-1-yl]ethyl}benzamide
4-methyl-N-{2-oxo-2-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperazin-1-yl]ethyl}benzamide
Compound characteristics
| Compound ID: | F537-0030 |
| Compound Name: | 4-methyl-N-{2-oxo-2-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperazin-1-yl]ethyl}benzamide |
| Molecular Weight: | 472.52 |
| Molecular Formula: | C22 H24 N4 O6 S |
| Smiles: | Cc1ccc(cc1)C(NCC(N1CCN(CC1)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9357 |
| logD: | 0.9355 |
| logSw: | -2.5581 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.833 |
| InChI Key: | XCVMTGIRAYJPJE-UHFFFAOYSA-N |