N-[3-(cyclohexylsulfanyl)propyl]-10-[(2,5-dimethylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[3-(cyclohexylsulfanyl)propyl]-10-[(2,5-dimethylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[3-(cyclohexylsulfanyl)propyl]-10-[(2,5-dimethylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-1203 |
| Compound Name: | N-[3-(cyclohexylsulfanyl)propyl]-10-[(2,5-dimethylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 544.78 |
| Molecular Formula: | C32 H36 N2 O2 S2 |
| Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3Sc3ccc(cc23)C(NCCCSC2CCCCC2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.9074 |
| logD: | 7.9074 |
| logSw: | -5.5106 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.848 |
| InChI Key: | NSKQHVFQMDDAHS-UHFFFAOYSA-N |