10-[(2,5-dimethylphenyl)methyl]-5,11-dioxo-N-[2-(pyrrolidin-1-yl)ethyl]-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-[2-(pyrrolidin-1-yl)ethyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2,5-dimethylphenyl)methyl]-5,11-dioxo-N-[2-(pyrrolidin-1-yl)ethyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-1031 |
| Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-5,11-dioxo-N-[2-(pyrrolidin-1-yl)ethyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 501.65 |
| Molecular Formula: | C29 H31 N3 O3 S |
| Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3S(c3ccc(cc23)C(NCCN2CCCC2)=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.9661 |
| logD: | 2.5579 |
| logSw: | -4.0046 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.388 |
| InChI Key: | CHVZNCGRDFEKNA-UHFFFAOYSA-N |