N-[2-(cyclohex-1-en-1-yl)ethyl]-10-[(3-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-10-[(3-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-10-[(3-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-4573 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-10-[(3-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 486.61 |
| Molecular Formula: | C29 H27 F N2 O2 S |
| Smiles: | C1CCC(CCNC(c2ccc3c(c2)N(Cc2cccc(c2)F)C(c2ccccc2S3)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 6.2704 |
| logD: | 6.2704 |
| logSw: | -5.9809 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.848 |
| InChI Key: | HOIDEPQTZDWQBI-UHFFFAOYSA-N |