ethyl 2-{2-[(5-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4-methyl-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(5-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4-methyl-1,3-thiazole-5-carboxylate
ethyl 2-{2-[(5-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
Compound ID: | C592-4026 |
Compound Name: | ethyl 2-{2-[(5-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4-methyl-1,3-thiazole-5-carboxylate |
Molecular Weight: | 495.6 |
Molecular Formula: | C17 H21 N9 O3 S3 |
Smiles: | CCOC(c1c(C)nc(NC(CSc2nnc(CSc3nc(cc(N)n3)N)n2C)=O)s1)=O |
Stereo: | ACHIRAL |
logP: | 1.4109 |
logD: | 1.0939 |
logSw: | -2.2991 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 5 |
Polar surface area: | 139.119 |
InChI Key: | KDPDJDUSMBDOMK-UHFFFAOYSA-N |