ethyl 6-{[4-(tert-butylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-2-oxo-1-(prop-2-en-1-yl)-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(tert-butylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-2-oxo-1-(prop-2-en-1-yl)-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(tert-butylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-2-oxo-1-(prop-2-en-1-yl)-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V005-6656 |
| Compound Name: | ethyl 6-{[4-(tert-butylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-2-oxo-1-(prop-2-en-1-yl)-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 503.66 |
| Molecular Formula: | C25 H37 N5 O4 S |
| Smiles: | CCOC(C1C(c2ccsc2)NC(N(CC=C)C=1CN1CCN(C(C)C1)C(NC(C)(C)C)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2678 |
| logD: | 1.3484 |
| logSw: | -3.3096 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.666 |
| InChI Key: | MVLHUZSYJBIQLU-UHFFFAOYSA-N |