N-[2-(cyclohex-1-en-1-yl)ethyl]-10-[(2-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-10-[(2-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-10-[(2-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-0745 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-10-[(2-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 502.61 |
| Molecular Formula: | C29 H27 F N2 O3 S |
| Smiles: | C1CCC(CCNC(c2ccc3c(c2)N(Cc2ccccc2F)C(c2ccccc2S3=O)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.5495 |
| logD: | 4.5495 |
| logSw: | -4.4471 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.232 |
| InChI Key: | YBRBBOQHOBNZAI-UHFFFAOYSA-N |