10-[(4-chlorophenyl)methyl]-8-(4-ethylpiperazine-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-ethylpiperazine-1-carbonyl)-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
10-[(4-chlorophenyl)methyl]-8-(4-ethylpiperazine-1-carbonyl)-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Compound characteristics
| Compound ID: | C530-0959 |
| Compound Name: | 10-[(4-chlorophenyl)methyl]-8-(4-ethylpiperazine-1-carbonyl)-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: | CCN1CCN(CC1)C(c1ccc2c(c1)N(Cc1ccc(cc1)[Cl])C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3233 |
| logD: | 3.1471 |
| logSw: | -3.9299 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.566 |
| InChI Key: | KNJVRIMSFZQGEP-UHFFFAOYSA-N |