8-(4-benzylpiperazine-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-benzylpiperazine-1-carbonyl)-10-[(2-fluorophenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
8-(4-benzylpiperazine-1-carbonyl)-10-[(2-fluorophenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Compound characteristics
| Compound ID: | C530-1081 |
| Compound Name: | 8-(4-benzylpiperazine-1-carbonyl)-10-[(2-fluorophenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione |
| Molecular Weight: | 569.66 |
| Molecular Formula: | C32 H28 F N3 O4 S |
| Smiles: | C1CN(CCN1Cc1ccccc1)C(c1ccc2c(c1)N(Cc1ccccc1F)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0225 |
| logD: | 4.0071 |
| logSw: | -4.3054 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.57 |
| InChI Key: | CYYAXBGINOKFHR-UHFFFAOYSA-N |