4-tert-butyl-N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-(prop-2-en-1-yl)benzamide
Chemical Structure Depiction of
4-tert-butyl-N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-(prop-2-en-1-yl)benzamide
4-tert-butyl-N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-(prop-2-en-1-yl)benzamide
Compound characteristics
| Compound ID: | V002-2890 |
| Compound Name: | 4-tert-butyl-N-(2-{[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-(prop-2-en-1-yl)benzamide |
| Molecular Weight: | 540.64 |
| Molecular Formula: | C33 H33 F N2 O4 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(N(CC=C)CC(N(CC1=COc2ccccc2C1=O)Cc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5409 |
| logD: | 5.5409 |
| logSw: | -5.4845 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.005 |
| InChI Key: | NDRAJMBSYWLYGA-UHFFFAOYSA-N |