methyl 3-[(4-{2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl}piperazine-1-carbonyl)amino]-2-methylbenzoate
Chemical Structure Depiction of
methyl 3-[(4-{2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl}piperazine-1-carbonyl)amino]-2-methylbenzoate
methyl 3-[(4-{2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl}piperazine-1-carbonyl)amino]-2-methylbenzoate
Compound characteristics
| Compound ID: | V002-0079 |
| Compound Name: | methyl 3-[(4-{2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl}piperazine-1-carbonyl)amino]-2-methylbenzoate |
| Molecular Weight: | 558.02 |
| Molecular Formula: | C29 H30 Cl F2 N3 O4 |
| Salt: | not_available |
| Smiles: | Cc1c(cccc1NC(N1CCN(CC1)CC(c1ccc(cc1)[Cl])OCc1c(cccc1F)F)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4431 |
| logD: | 5.3778 |
| logSw: | -6.0986 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.604 |
| InChI Key: | JPMGDUXEMPWEOR-MHZLTWQESA-N |