6-amino-4-{4-[(4-chloro-2-methylphenoxy)methyl]-5-methylthiophen-2-yl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-4-{4-[(4-chloro-2-methylphenoxy)methyl]-5-methylthiophen-2-yl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-4-{4-[(4-chloro-2-methylphenoxy)methyl]-5-methylthiophen-2-yl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | Y501-3765 |
| Compound Name: | 6-amino-4-{4-[(4-chloro-2-methylphenoxy)methyl]-5-methylthiophen-2-yl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 426.92 |
| Molecular Formula: | C21 H19 Cl N4 O2 S |
| Smiles: | Cc1cc(ccc1OCc1cc(C2C(C#N)=C(N)Oc3c2c(C)n[nH]3)sc1C)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7307 |
| logD: | 4.7307 |
| logSw: | -4.8458 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.884 |
| InChI Key: | FPXCFSFSTBICEP-IBGZPJMESA-N |