ethyl 6-{[4-(tert-butylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-1-ethyl-2-oxo-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}-1-ethyl-2-oxo-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(tert-butylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-1-ethyl-2-oxo-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V031-0623 |
| Compound Name: | ethyl 6-{[4-(tert-butylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-1-ethyl-2-oxo-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 491.65 |
| Molecular Formula: | C24 H37 N5 O4 S |
| Smiles: | CCN1C(CN2CCN(C(C)C2)C(NC(C)(C)C)=O)=C(C(c2ccsc2)NC1=O)C(=O)OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0819 |
| logD: | 1.0413 |
| logSw: | -3.1608 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.413 |
| InChI Key: | MIOUQOLFSZSFQA-UHFFFAOYSA-N |