8-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-10-ethyl-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Chemical Structure Depiction of
8-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-10-ethyl-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
8-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-10-ethyl-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Compound characteristics
| Compound ID: | C530-0280 |
| Compound Name: | 8-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-10-ethyl-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione |
| Molecular Weight: | 524.04 |
| Molecular Formula: | C27 H26 Cl N3 O4 S |
| Smiles: | CCN1C(c2ccccc2S(c2ccc(cc12)C(N1CCN(CC1)c1cc(ccc1C)[Cl])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1816 |
| logD: | 4.1816 |
| logSw: | -4.4352 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.985 |
| InChI Key: | CPJZNRLTKPLFPH-UHFFFAOYSA-N |