N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-4790 |
| Compound Name: | N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 504.74 |
| Molecular Formula: | C30 H40 N4 O S |
| Smiles: | CCCC1c2ccccc2Sc2ccc(cc2N=1)C(NCCCN1CCN(CC1)C1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4888 |
| logD: | 4.5784 |
| logSw: | -5.2597 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.561 |
| InChI Key: | WHBYWBWQFMWUFO-UHFFFAOYSA-N |