6-amino-4-(2H-1,3-benzodioxol-5-yl)-3-tert-butyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-4-(2H-1,3-benzodioxol-5-yl)-3-tert-butyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-4-(2H-1,3-benzodioxol-5-yl)-3-tert-butyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | 8010-6374 |
| Compound Name: | 6-amino-4-(2H-1,3-benzodioxol-5-yl)-3-tert-butyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 338.36 |
| Molecular Formula: | C18 H18 N4 O3 |
| Smiles: | CC(C)(C)c1c2C(C(C#N)=C(N)Oc2[nH]n1)c1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.775 |
| logD: | 2.775 |
| logSw: | -3.2029 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.86 |
| InChI Key: | ITGFPSSSUBFKPN-CYBMUJFWSA-N |