8-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-10-ethyl-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Chemical Structure Depiction of
8-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-10-ethyl-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
8-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-10-ethyl-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Compound characteristics
| Compound ID: | C529-1864 |
| Compound Name: | 8-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-10-ethyl-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione |
| Molecular Weight: | 508.04 |
| Molecular Formula: | C27 H26 Cl N3 O3 S |
| Smiles: | CCN1C(c2ccccc2S(c2ccc(cc12)C(N1CCN(CC1)c1cc(ccc1C)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.052 |
| logD: | 4.052 |
| logSw: | -4.3648 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.389 |
| InChI Key: | VMVNQBJROVVWNO-UHFFFAOYSA-N |