10-[(2-fluorophenyl)methyl]-8-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Chemical Structure Depiction of
10-[(2-fluorophenyl)methyl]-8-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
10-[(2-fluorophenyl)methyl]-8-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Compound characteristics
| Compound ID: | C529-0694 |
| Compound Name: | 10-[(2-fluorophenyl)methyl]-8-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione |
| Molecular Weight: | 557.6 |
| Molecular Formula: | C30 H24 F N3 O5 S |
| Smiles: | C1CN(CCN1C(c1ccc2c(c1)N(Cc1ccccc1F)C(c1ccccc1S2=O)=O)=O)C(c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7848 |
| logD: | 2.7848 |
| logSw: | -3.6092 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.467 |
| InChI Key: | OOGHJRWVGSPVQX-UHFFFAOYSA-N |