2,4-dichloro-N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-(3-methylbutyl)benzamide
Chemical Structure Depiction of
2,4-dichloro-N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-(3-methylbutyl)benzamide
2,4-dichloro-N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-(3-methylbutyl)benzamide
Compound characteristics
| Compound ID: | V002-3815 |
| Compound Name: | 2,4-dichloro-N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-(3-methylbutyl)benzamide |
| Molecular Weight: | 583.49 |
| Molecular Formula: | C31 H29 Cl2 F N2 O4 |
| Smiles: | CC(C)CCN(CC(N(CC1=COc2ccccc2C1=O)Cc1ccc(cc1)F)=O)C(c1ccc(cc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.9631 |
| logD: | 5.9631 |
| logSw: | -6.0592 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.005 |
| InChI Key: | MXXDKQQWTZWRGW-UHFFFAOYSA-N |