N-{4-[4-(methanesulfonyl)piperazin-1-yl]phenyl}-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
N-{4-[4-(methanesulfonyl)piperazin-1-yl]phenyl}-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-{4-[4-(methanesulfonyl)piperazin-1-yl]phenyl}-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | D257-0801 |
| Compound Name: | N-{4-[4-(methanesulfonyl)piperazin-1-yl]phenyl}-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 478.54 |
| Molecular Formula: | C20 H22 N4 O6 S2 |
| Smiles: | CS(N1CCN(CC1)c1ccc(cc1)NC(CN1C(c2ccccc2S1(=O)=O)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7403 |
| logD: | 0.7403 |
| logSw: | -2.4162 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.068 |
| InChI Key: | VHDNSBAHKOXJDI-UHFFFAOYSA-N |