2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-1-(pyrrolidin-1-yl)propan-1-one
Chemical Structure Depiction of
2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-1-(pyrrolidin-1-yl)propan-1-one
2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-1-(pyrrolidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | J084-0316 |
| Compound Name: | 2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-1-(pyrrolidin-1-yl)propan-1-one |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C22 H21 N5 O S |
| Smiles: | CC(C(N1CCCC1)=O)Sc1nnc2c3ccccc3nc(c3ccccc3)n12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3192 |
| logD: | 4.3114 |
| logSw: | -4.1897 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.596 |
| InChI Key: | ICOJICUMJWXDRE-HNNXBMFYSA-N |