ethyl 2-[(4-phenyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]butanoate
Chemical Structure Depiction of
ethyl 2-[(4-phenyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]butanoate
ethyl 2-[(4-phenyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]butanoate
Compound characteristics
| Compound ID: | C663-0700 |
| Compound Name: | ethyl 2-[(4-phenyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]butanoate |
| Molecular Weight: | 415.53 |
| Molecular Formula: | C19 H21 N5 O2 S2 |
| Smiles: | CCC(C(=O)OCC)Sc1nnc(CSc2ncccn2)n1c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3512 |
| logD: | 3.3511 |
| logSw: | -3.4952 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.871 |
| InChI Key: | IDOGTMDVRGJLPP-HNNXBMFYSA-N |