1-{7-[4-(pentan-2-yl)piperazine-1-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{7-[4-(pentan-2-yl)piperazine-1-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one
1-{7-[4-(pentan-2-yl)piperazine-1-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | G269-0253 |
| Compound Name: | 1-{7-[4-(pentan-2-yl)piperazine-1-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one |
| Molecular Weight: | 425.61 |
| Molecular Formula: | C20 H31 N3 O3 S2 |
| Smiles: | CCCC(C)N1CCN(CC1)S(c1ccc2c(c1)N(CCCS2)C(C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2235 |
| logD: | 3.0541 |
| logSw: | -3.6043 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 51.781 |
| InChI Key: | NWPBUYHUYHVXIJ-INIZCTEOSA-N |