N-[2-(4-chlorophenyl)ethyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(4-chlorophenyl)ethyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-0365 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 434.99 |
| Molecular Formula: | C25 H23 Cl N2 O S |
| Smiles: | CCCC1c2ccccc2Sc2ccc(cc2N=1)C(NCCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.0692 |
| logD: | 6.069 |
| logSw: | -5.9746 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.486 |
| InChI Key: | GTFGUPNXCRMKKV-UHFFFAOYSA-N |