1-{7-[4-(2,3-dimethylphenyl)piperazine-1-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{7-[4-(2,3-dimethylphenyl)piperazine-1-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one
1-{7-[4-(2,3-dimethylphenyl)piperazine-1-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | G269-0089 |
| Compound Name: | 1-{7-[4-(2,3-dimethylphenyl)piperazine-1-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one |
| Molecular Weight: | 459.63 |
| Molecular Formula: | C23 H29 N3 O3 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(N1CCN(CC1)c1cccc(C)c1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4848 |
| logD: | 4.4848 |
| logSw: | -4.3153 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.292 |
| InChI Key: | YPVAUYAZXISZNL-UHFFFAOYSA-N |