10-[(4-chlorophenyl)methyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(4-chlorophenyl)methyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(4-chlorophenyl)methyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1009 |
| Compound Name: | 10-[(4-chlorophenyl)methyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 535.06 |
| Molecular Formula: | C29 H27 Cl N2 O4 S |
| Smiles: | C1CCC(CCNC(c2ccc3c(c2)N(Cc2ccc(cc2)[Cl])C(c2ccccc2S3(=O)=O)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.1334 |
| logD: | 5.1334 |
| logSw: | -5.4931 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.828 |
| InChI Key: | HJCAJNQLJIWVBD-UHFFFAOYSA-N |