8-(4-benzylpiperazine-1-carbonyl)-10-[(4-fluorophenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Chemical Structure Depiction of
8-(4-benzylpiperazine-1-carbonyl)-10-[(4-fluorophenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
8-(4-benzylpiperazine-1-carbonyl)-10-[(4-fluorophenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Compound characteristics
| Compound ID: | C529-0817 |
| Compound Name: | 8-(4-benzylpiperazine-1-carbonyl)-10-[(4-fluorophenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione |
| Molecular Weight: | 553.66 |
| Molecular Formula: | C32 H28 F N3 O3 S |
| Smiles: | C1CN(CCN1Cc1ccccc1)C(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(c1ccccc1S2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7816 |
| logD: | 3.7662 |
| logSw: | -4.1028 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.973 |
| InChI Key: | NSZOWHKLIXWNEN-UHFFFAOYSA-N |