N-[2-(4-methylphenyl)ethyl]-10-[(3-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[2-(4-methylphenyl)ethyl]-10-[(3-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(4-methylphenyl)ethyl]-10-[(3-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-0599 |
| Compound Name: | N-[2-(4-methylphenyl)ethyl]-10-[(3-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 524.64 |
| Molecular Formula: | C31 H28 N2 O4 S |
| Smiles: | Cc1ccc(CCNC(c2ccc3c(c2)N(Cc2cccc(C)c2)C(c2ccccc2S3(=O)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2382 |
| logD: | 5.2382 |
| logSw: | -4.9457 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.636 |
| InChI Key: | KFUGGSPXCFSQNR-UHFFFAOYSA-N |