methyl 2-[(4-phenyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate
Chemical Structure Depiction of
methyl 2-[(4-phenyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate
methyl 2-[(4-phenyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate
Compound characteristics
| Compound ID: | C663-0702 |
| Compound Name: | methyl 2-[(4-phenyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate |
| Molecular Weight: | 387.48 |
| Molecular Formula: | C17 H17 N5 O2 S2 |
| Smiles: | CC(C(=O)OC)Sc1nnc(CSc2ncccn2)n1c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4116 |
| logD: | 2.411 |
| logSw: | -2.4374 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.291 |
| InChI Key: | CJZYABGPIDFUAD-LBPRGKRZSA-N |