ethyl 4-(2H-1,3-benzodioxol-5-yl)-2-oxo-6-({[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(2H-1,3-benzodioxol-5-yl)-2-oxo-6-({[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2H-1,3-benzodioxol-5-yl)-2-oxo-6-({[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8015-7948 |
| Compound Name: | ethyl 4-(2H-1,3-benzodioxol-5-yl)-2-oxo-6-({[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 525.6 |
| Molecular Formula: | C24 H23 N5 O5 S2 |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)NC(NC=1CSc1nnc(c2cccs2)n1CC=C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9956 |
| logD: | 3.787 |
| logSw: | -4 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.167 |
| InChI Key: | DURADYKHKZRBSW-HXUWFJFHSA-N |