1-[7-(azepane-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[7-(azepane-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one
1-[7-(azepane-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | G269-0065 |
| Compound Name: | 1-[7-(azepane-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one |
| Molecular Weight: | 368.52 |
| Molecular Formula: | C17 H24 N2 O3 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(N1CCCCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1356 |
| logD: | 3.1356 |
| logSw: | -3.4593 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 48.664 |
| InChI Key: | XKZWSNNSJXFOHM-UHFFFAOYSA-N |