10-[(3-chlorophenyl)methyl]-8-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Chemical Structure Depiction of
10-[(3-chlorophenyl)methyl]-8-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
10-[(3-chlorophenyl)methyl]-8-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Compound characteristics
| Compound ID: | K788-8632 |
| Compound Name: | 10-[(3-chlorophenyl)methyl]-8-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione |
| Molecular Weight: | 606.53 |
| Molecular Formula: | C31 H25 Cl2 N3 O4 S |
| Smiles: | C1CN(CCN1C(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2(=O)=O)=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.5728 |
| logD: | 5.5728 |
| logSw: | -5.8723 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.289 |
| InChI Key: | JJTPLVJMKYKALP-UHFFFAOYSA-N |