methyl 2-[(4-methyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate
Chemical Structure Depiction of
methyl 2-[(4-methyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate
methyl 2-[(4-methyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate
Compound characteristics
| Compound ID: | C663-0694 |
| Compound Name: | methyl 2-[(4-methyl-5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate |
| Molecular Weight: | 325.41 |
| Molecular Formula: | C12 H15 N5 O2 S2 |
| Smiles: | CC(C(=O)OC)Sc1nnc(CSc2ncccn2)n1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9605 |
| logD: | 0.9575 |
| logSw: | -1.5488 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.63 |
| InChI Key: | SXCIDDCQOJOPEH-QMMMGPOBSA-N |