8-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-10-[(2-fluorophenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Chemical Structure Depiction of
8-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-10-[(2-fluorophenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
8-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-10-[(2-fluorophenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Compound characteristics
| Compound ID: | C530-1071 |
| Compound Name: | 8-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-10-[(2-fluorophenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione |
| Molecular Weight: | 583.68 |
| Molecular Formula: | C33 H30 F N3 O4 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(c1ccc2c(c1)N(Cc1ccccc1F)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4994 |
| logD: | 5.4994 |
| logSw: | -5.3474 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.989 |
| InChI Key: | KKXURWMBHQQONF-UHFFFAOYSA-N |