3,4-dichloro-N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]benzamide
Chemical Structure Depiction of
3,4-dichloro-N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]benzamide
3,4-dichloro-N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V012-8319 |
| Compound Name: | 3,4-dichloro-N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]benzamide |
| Molecular Weight: | 597.47 |
| Molecular Formula: | C31 H27 Cl2 F N2 O5 |
| Smiles: | C1CC(CN(CC(N(CC2=COc3ccccc3C2=O)Cc2ccc(cc2)F)=O)C(c2ccc(c(c2)[Cl])[Cl])=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4937 |
| logD: | 4.4937 |
| logSw: | -4.6516 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.409 |
| InChI Key: | LTKXWHZFRZOSNW-XMMPIXPASA-N |