10-[(4-fluorophenyl)methyl]-8-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Chemical Structure Depiction of
10-[(4-fluorophenyl)methyl]-8-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
10-[(4-fluorophenyl)methyl]-8-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Compound characteristics
| Compound ID: | C530-1225 |
| Compound Name: | 10-[(4-fluorophenyl)methyl]-8-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione |
| Molecular Weight: | 573.62 |
| Molecular Formula: | C31 H25 F2 N3 O4 S |
| Smiles: | C1CN(CCN1C(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(c1ccccc1S2(=O)=O)=O)=O)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 4.4087 |
| logD: | 4.4087 |
| logSw: | -4.367 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.989 |
| InChI Key: | ALGPEBPSOAIOPS-UHFFFAOYSA-N |