N-(2-{benzyl[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-(3-methylbutyl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-(2-{benzyl[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-(3-methylbutyl)thiophene-2-carboxamide
N-(2-{benzyl[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-(3-methylbutyl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V012-8363 |
| Compound Name: | N-(2-{benzyl[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-N-(3-methylbutyl)thiophene-2-carboxamide |
| Molecular Weight: | 516.66 |
| Molecular Formula: | C30 H32 N2 O4 S |
| Smiles: | CC(C)CCN(CC(N(CC1=COc2ccc(C)cc2C1=O)Cc1ccccc1)=O)C(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3443 |
| logD: | 5.3443 |
| logSw: | -5.3187 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.023 |
| InChI Key: | BNRUNPHQNLURTL-UHFFFAOYSA-N |