N-[3-(azepan-1-yl)propyl]-10-[(2,5-dimethylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-10-[(2,5-dimethylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[3-(azepan-1-yl)propyl]-10-[(2,5-dimethylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-1026 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-10-[(2,5-dimethylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 543.73 |
| Molecular Formula: | C32 H37 N3 O3 S |
| Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3S(c3ccc(cc23)C(NCCCN2CCCCCC2)=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.9495 |
| logD: | 2.3789 |
| logSw: | -4.3328 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.353 |
| InChI Key: | AHCJSCZALNWGGM-UHFFFAOYSA-N |