2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)propan-1-one
Chemical Structure Depiction of
2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)propan-1-one
2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | J084-0877 |
| Compound Name: | 2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)propan-1-one |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C23 H23 N5 O S |
| Smiles: | CC(C(N1CCCC1)=O)Sc1nnc2c3ccccc3nc(c3ccc(C)cc3)n12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8476 |
| logD: | 4.8055 |
| logSw: | -4.7564 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.596 |
| InChI Key: | YPLSGEOYXNNTLF-INIZCTEOSA-N |