1-[7-(4-cyclopentylpiperazine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[7-(4-cyclopentylpiperazine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one
1-[7-(4-cyclopentylpiperazine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | G269-0252 |
| Compound Name: | 1-[7-(4-cyclopentylpiperazine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one |
| Molecular Weight: | 423.6 |
| Molecular Formula: | C20 H29 N3 O3 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(N1CCN(CC1)C1CCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8365 |
| logD: | 2.703 |
| logSw: | -3.4016 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 51.792 |
| InChI Key: | WFOUCGIHBCKCEB-UHFFFAOYSA-N |