2-{[5-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
2-{[5-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | J084-0636 |
| Compound Name: | 2-{[5-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C22 H21 N5 O S |
| Smiles: | Cc1cccc(c1)c1nc2ccccc2c2nnc(n12)SCC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2734 |
| logD: | 4.2605 |
| logSw: | -4.3309 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.069 |
| InChI Key: | HGMWKYVGDONQMG-UHFFFAOYSA-N |