2-methyl-N-[2-(4-methylphenyl)ethyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
2-methyl-N-[2-(4-methylphenyl)ethyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
2-methyl-N-[2-(4-methylphenyl)ethyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-0743 |
| Compound Name: | 2-methyl-N-[2-(4-methylphenyl)ethyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 428.6 |
| Molecular Formula: | C27 H28 N2 O S |
| Smiles: | CCCC1c2cc(C)ccc2Sc2ccc(cc2N=1)C(NCCc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4823 |
| logD: | 6.482 |
| logSw: | -5.5193 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.486 |
| InChI Key: | DVGSEEZYKWCJFN-UHFFFAOYSA-N |