1-{7-[4-(3-chlorophenyl)piperazine-1-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{7-[4-(3-chlorophenyl)piperazine-1-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one
1-{7-[4-(3-chlorophenyl)piperazine-1-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | G269-0086 |
| Compound Name: | 1-{7-[4-(3-chlorophenyl)piperazine-1-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one |
| Molecular Weight: | 466.02 |
| Molecular Formula: | C21 H24 Cl N3 O3 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(N1CCN(CC1)c1cccc(c1)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9449 |
| logD: | 3.9449 |
| logSw: | -4.1629 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.593 |
| InChI Key: | GIJCCXCOESUPQX-UHFFFAOYSA-N |