N-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)phenyl]acetamide
Chemical Structure Depiction of
N-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)phenyl]acetamide
N-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | 4979-2494 |
| Compound Name: | N-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl)phenyl]acetamide |
| Molecular Weight: | 351.4 |
| Molecular Formula: | C20 H21 N3 O3 |
| Smiles: | CC(Nc1ccc(cc1)C1C(C#N)=C(N)OC2CC(C)(C)CC(C1=2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5628 |
| logD: | 1.5628 |
| logSw: | -1.9618 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.864 |
| InChI Key: | MQPLIWSJVREFDY-QGZVFWFLSA-N |