10-[(3-chlorophenyl)methyl]-8-[4-(furan-2-carbonyl)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-(furan-2-carbonyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
10-[(3-chlorophenyl)methyl]-8-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Compound characteristics
| Compound ID: | K788-8624 |
| Compound Name: | 10-[(3-chlorophenyl)methyl]-8-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione |
| Molecular Weight: | 590.05 |
| Molecular Formula: | C30 H24 Cl N3 O6 S |
| Smiles: | C1CN(CCN1C(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2(=O)=O)=O)=O)C(c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4294 |
| logD: | 3.4294 |
| logSw: | -3.969 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.064 |
| InChI Key: | BISNVUIUSKSOSP-UHFFFAOYSA-N |