1-{7-[4-(4-methoxyphenyl)piperazine-1-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{7-[4-(4-methoxyphenyl)piperazine-1-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one
1-{7-[4-(4-methoxyphenyl)piperazine-1-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | G269-0185 |
| Compound Name: | 1-{7-[4-(4-methoxyphenyl)piperazine-1-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one |
| Molecular Weight: | 461.6 |
| Molecular Formula: | C22 H27 N3 O4 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(N1CCN(CC1)c1ccc(cc1)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4652 |
| logD: | 3.4652 |
| logSw: | -4.0401 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.137 |
| InChI Key: | RJXZYTIMEZHXDD-UHFFFAOYSA-N |