N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-4785 |
| Compound Name: | N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 528.72 |
| Molecular Formula: | C31 H36 N4 O2 S |
| Smiles: | CCCC1c2ccccc2Sc2ccc(cc2N=1)C(NCCCN1CCN(CC1)c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5709 |
| logD: | 5.027 |
| logSw: | -5.3058 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.272 |
| InChI Key: | DFBDFOFPIRGWPE-UHFFFAOYSA-N |