10-[(2,5-dimethylphenyl)methyl]-5,11-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-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-[3-(2-oxopyrrolidin-1-yl)propyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2,5-dimethylphenyl)methyl]-5,11-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-0996 |
| Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-5,11-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 529.66 |
| Molecular Formula: | C30 H31 N3 O4 S |
| Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3S(c3ccc(cc23)C(NCCCN2CCCC2=O)=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.9749 |
| logD: | 2.9749 |
| logSw: | -3.6168 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.552 |
| InChI Key: | TZDKKYLMFAJCOD-UHFFFAOYSA-N |