1-{7-[4-(4-nitrophenyl)piperazine-1-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{7-[4-(4-nitrophenyl)piperazine-1-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one
1-{7-[4-(4-nitrophenyl)piperazine-1-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | G269-0069 |
| Compound Name: | 1-{7-[4-(4-nitrophenyl)piperazine-1-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one |
| Molecular Weight: | 476.57 |
| Molecular Formula: | C21 H24 N4 O5 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4085 |
| logD: | 3.4085 |
| logSw: | -4.036 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 84.975 |
| InChI Key: | KOOCOCNOAUZOMK-UHFFFAOYSA-N |