10-[(2,5-dimethylphenyl)methyl]-5,11-dioxo-N-[(pyridin-3-yl)methyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2,5-dimethylphenyl)methyl]-5,11-dioxo-N-[(pyridin-3-yl)methyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2,5-dimethylphenyl)methyl]-5,11-dioxo-N-[(pyridin-3-yl)methyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-0969 |
| Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-5,11-dioxo-N-[(pyridin-3-yl)methyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 495.6 |
| Molecular Formula: | C29 H25 N3 O3 S |
| Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3S(c3ccc(cc23)C(NCc2cccnc2)=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.9234 |
| logD: | 3.9233 |
| logSw: | -3.8207 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.716 |
| InChI Key: | BTQMDNSIEHGOMB-UHFFFAOYSA-N |