N-butyl-4-tert-butyl-N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)benzamide
Chemical Structure Depiction of
N-butyl-4-tert-butyl-N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)benzamide
N-butyl-4-tert-butyl-N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)benzamide
Compound characteristics
| Compound ID: | V001-5630 |
| Compound Name: | N-butyl-4-tert-butyl-N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)benzamide |
| Molecular Weight: | 556.68 |
| Molecular Formula: | C34 H37 F N2 O4 |
| Smiles: | CCCCN(CC(N(CC1=COc2ccccc2C1=O)Cc1ccc(cc1)F)=O)C(c1ccc(cc1)C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3192 |
| logD: | 6.3192 |
| logSw: | -5.4956 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.005 |
| InChI Key: | MWTMAVXQMXVGBJ-UHFFFAOYSA-N |