8-(azepane-1-carbonyl)-10-[(2,5-dimethylphenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Chemical Structure Depiction of
8-(azepane-1-carbonyl)-10-[(2,5-dimethylphenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
8-(azepane-1-carbonyl)-10-[(2,5-dimethylphenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Compound characteristics
| Compound ID: | C530-1324 |
| Compound Name: | 8-(azepane-1-carbonyl)-10-[(2,5-dimethylphenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione |
| Molecular Weight: | 502.63 |
| Molecular Formula: | C29 H30 N2 O4 S |
| Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3S(c3ccc(cc23)C(N2CCCCCC2)=O)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.1078 |
| logD: | 5.1078 |
| logSw: | -4.7454 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.36 |
| InChI Key: | KXDHMORAYHJMAX-UHFFFAOYSA-N |