10-[(2,5-dimethylphenyl)methyl]-8-[4-(pyridin-2-yl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Chemical Structure Depiction of
10-[(2,5-dimethylphenyl)methyl]-8-[4-(pyridin-2-yl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
10-[(2,5-dimethylphenyl)methyl]-8-[4-(pyridin-2-yl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Compound characteristics
| Compound ID: | C530-1348 |
| Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-8-[4-(pyridin-2-yl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione |
| Molecular Weight: | 566.68 |
| Molecular Formula: | C32 H30 N4 O4 S |
| Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3S(c3ccc(cc23)C(N2CCN(CC2)c2ccccn2)=O)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.9147 |
| logD: | 4.9059 |
| logSw: | -4.5351 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.801 |
| InChI Key: | HULZMOUXTWVJES-UHFFFAOYSA-N |