methyl 10-[(2-chloro-4-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
methyl 10-[(2-chloro-4-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
methyl 10-[(2-chloro-4-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | G599-0195 |
| Compound Name: | methyl 10-[(2-chloro-4-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 427.88 |
| Molecular Formula: | C22 H15 Cl F N O3 S |
| Smiles: | COC(c1ccc2c(c1)N(Cc1ccc(cc1[Cl])F)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0426 |
| logD: | 6.0426 |
| logSw: | -5.8849 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 36.574 |
| InChI Key: | CRGMZGOHVADSIQ-UHFFFAOYSA-N |