ethyl 4-{10-[(2-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carbonyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{10-[(2-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carbonyl}piperazine-1-carboxylate
ethyl 4-{10-[(2-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carbonyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K788-3228 |
| Compound Name: | ethyl 4-{10-[(2-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carbonyl}piperazine-1-carboxylate |
| Molecular Weight: | 519.59 |
| Molecular Formula: | C28 H26 F N3 O4 S |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc2c(c1)N(Cc1ccccc1F)C(c1ccccc1S2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8535 |
| logD: | 4.8535 |
| logSw: | -4.512 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.829 |
| InChI Key: | XOFOJJHBDICJSL-UHFFFAOYSA-N |