methyl 7-hydroxy-5-{[(5-phenyl[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-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidine-3-carboxylate
methyl 7-hydroxy-5-{[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidine-3-carboxylate
Compound characteristics
| Compound ID: | J084-0196 |
| Compound Name: | methyl 7-hydroxy-5-{[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidine-3-carboxylate |
| Molecular Weight: | 483.51 |
| Molecular Formula: | C24 H17 N7 O3 S |
| Smiles: | COC(c1cnn2c(cc(CSc3nnc4c5ccccc5nc(c5ccccc5)n34)nc12)O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9309 |
| logD: | 1.4563 |
| logSw: | -3.8878 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.651 |
| InChI Key: | VPMKYUVBNJZOME-UHFFFAOYSA-N |