N-cyclohexyl-10-[(4-fluorophenyl)methyl]-N-methyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-cyclohexyl-10-[(4-fluorophenyl)methyl]-N-methyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-cyclohexyl-10-[(4-fluorophenyl)methyl]-N-methyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1206 |
| Compound Name: | N-cyclohexyl-10-[(4-fluorophenyl)methyl]-N-methyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 506.6 |
| Molecular Formula: | C28 H27 F N2 O4 S |
| Smiles: | CN(C1CCCCC1)C(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5301 |
| logD: | 4.5301 |
| logSw: | -4.3285 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.583 |
| InChI Key: | YMLZTKMORASBSC-UHFFFAOYSA-N |