methyl 7-hydroxy-5-({[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
Chemical Structure Depiction of
methyl 7-hydroxy-5-({[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
methyl 7-hydroxy-5-({[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
Compound characteristics
| Compound ID: | J084-0822 |
| Compound Name: | methyl 7-hydroxy-5-({[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate |
| Molecular Weight: | 497.53 |
| Molecular Formula: | C25 H19 N7 O3 S |
| Smiles: | Cc1ccc(cc1)c1nc2ccccc2c2nnc(n12)SCc1cc(n2c(c(cn2)C(=O)OC)n1)O |
| Stereo: | ACHIRAL |
| logP: | 4.4594 |
| logD: | 1.9847 |
| logSw: | -4.1607 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.651 |
| InChI Key: | RACXCRGPEVZUQO-UHFFFAOYSA-N |