2-amino-4-(4-chloro-1-ethyl-3-methyl-1H-pyrazol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-chloro-1-ethyl-3-methyl-1H-pyrazol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(4-chloro-1-ethyl-3-methyl-1H-pyrazol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y505-4179 |
| Compound Name: | 2-amino-4-(4-chloro-1-ethyl-3-methyl-1H-pyrazol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 332.79 |
| Molecular Formula: | C16 H17 Cl N4 O2 |
| Smiles: | CCn1c(C2C(C#N)=C(N)OC3CCCC(C2=3)=O)c(c(C)n1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6474 |
| logD: | 1.6474 |
| logSw: | -2.7232 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.91 |
| InChI Key: | DFBWJHRLSFIDQJ-GFCCVEGCSA-N |