(3-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-1-yl)(thiophen-3-yl)methanone
Chemical Structure Depiction of
(3-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-1-yl)(thiophen-3-yl)methanone
(3-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-1-yl)(thiophen-3-yl)methanone
Compound characteristics
| Compound ID: | P937-2105 |
| Compound Name: | (3-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-1-yl)(thiophen-3-yl)methanone |
| Molecular Weight: | 339.42 |
| Molecular Formula: | C17 H17 N5 O S |
| Smiles: | C1CN(CC1Cc1nnc(c2ccncc2)[nH]1)C(c1ccsc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6926 |
| logD: | 1.6694 |
| logSw: | -2.1065 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.137 |
| InChI Key: | UULFIDLIBMRYOK-LBPRGKRZSA-N |