N-[2-({2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]methanesulfonamide
Chemical Structure Depiction of
N-[2-({2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]methanesulfonamide
N-[2-({2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]methanesulfonamide
Compound characteristics
| Compound ID: | M070-1559 |
| Compound Name: | N-[2-({2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]methanesulfonamide |
| Molecular Weight: | 442.62 |
| Molecular Formula: | C18 H26 N4 O3 S3 |
| Smiles: | CC(C)CN1CCN(CC1)C(CSc1nc2ccc(cc2s1)NS(C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5716 |
| logD: | 2.4094 |
| logSw: | -3.1134 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.12 |
| InChI Key: | RRFMCXYBSDKUHV-UHFFFAOYSA-N |