N,N-diethyl-4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
Chemical Structure Depiction of
N,N-diethyl-4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
N,N-diethyl-4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
Compound characteristics
| Compound ID: | C700-1199 |
| Compound Name: | N,N-diethyl-4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide |
| Molecular Weight: | 531.59 |
| Molecular Formula: | C24 H29 N5 O7 S |
| Smiles: | CCN(CC)S(c1ccc2c(c1)N(CC(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0125 |
| logD: | 2.0125 |
| logSw: | -2.839 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 108.199 |
| InChI Key: | QYUAURHVNBSRID-UHFFFAOYSA-N |