methyl 10-[(2-chloro-4-fluorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
methyl 10-[(2-chloro-4-fluorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
methyl 10-[(2-chloro-4-fluorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | F089-0101 |
| Compound Name: | methyl 10-[(2-chloro-4-fluorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 459.88 |
| Molecular Formula: | C22 H15 Cl F N O5 S |
| Smiles: | COC(c1ccc2c(c1)N(Cc1ccc(cc1[Cl])F)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4331 |
| logD: | 4.4331 |
| logSw: | -4.5277 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.555 |
| InChI Key: | PBTKUTLDMQEEFB-UHFFFAOYSA-N |