N-(butan-2-yl)-N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-2-methylbenzamide
Chemical Structure Depiction of
N-(butan-2-yl)-N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-2-methylbenzamide
N-(butan-2-yl)-N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-2-methylbenzamide
Compound characteristics
| Compound ID: | V002-3739 |
| Compound Name: | N-(butan-2-yl)-N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-2-methylbenzamide |
| Molecular Weight: | 514.6 |
| Molecular Formula: | C31 H31 F N2 O4 |
| Smiles: | CCC(C)N(CC(N(CC1=COc2ccccc2C1=O)Cc1ccc(cc1)F)=O)C(c1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9879 |
| logD: | 4.9879 |
| logSw: | -4.6524 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.354 |
| InChI Key: | KFTKORTYDFCFFH-QFIPXVFZSA-N |