methyl 4-[3-(adamantan-1-yl)-6-amino-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate
Chemical Structure Depiction of
methyl 4-[3-(adamantan-1-yl)-6-amino-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate
methyl 4-[3-(adamantan-1-yl)-6-amino-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate
Compound characteristics
| Compound ID: | 8012-6278 |
| Compound Name: | methyl 4-[3-(adamantan-1-yl)-6-amino-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate |
| Molecular Weight: | 430.51 |
| Molecular Formula: | C25 H26 N4 O3 |
| Smiles: | COC(c1ccc(cc1)C1C(C#N)=C(N)Oc2c1c(C13CC4CC(CC(C4)C3)C1)n[nH]2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7167 |
| logD: | 4.7167 |
| logSw: | -4.7505 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.68 |
| InChI Key: | YFRUKMAXWMRBTD-OMOGNBNLSA-N |