10-[(4-chlorophenyl)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-[(4-chlorophenyl)methyl]-8-[4-(pyridin-2-yl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
10-[(4-chlorophenyl)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: | C530-0952 |
| Compound Name: | 10-[(4-chlorophenyl)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: | 573.07 |
| Molecular Formula: | C30 H25 Cl N4 O4 S |
| Smiles: | C1CN(CCN1C(c1ccc2c(c1)N(Cc1ccc(cc1)[Cl])C(c1ccccc1S2(=O)=O)=O)=O)c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 4.4634 |
| logD: | 4.4546 |
| logSw: | -4.6452 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.801 |
| InChI Key: | ZUNBETAEKBZSBK-UHFFFAOYSA-N |