10-[(2,5-dimethylphenyl)methyl]-N-[2-(1H-indol-3-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-[(2,5-dimethylphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2,5-dimethylphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1400 |
| Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 563.68 |
| Molecular Formula: | C33 H29 N3 O4 S |
| Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3S(c3ccc(cc23)C(NCCc2c[nH]c3ccccc23)=O)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.5655 |
| logD: | 5.5655 |
| logSw: | -5.5447 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.507 |
| InChI Key: | CJENZZBPSCNFQT-UHFFFAOYSA-N |