ethyl 6-{[4-(ethylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(ethylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(ethylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V024-0726 |
| Compound Name: | ethyl 6-{[4-(ethylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C21 H31 N5 O4 S |
| Salt: | not_available |
| Smiles: | CCNC(N1CCN(CC1C)CC1=C(C(c2ccsc2)NC(N1C)=O)C(=O)OCC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6007 |
| logD: | -0.5663 |
| logSw: | -2.4969 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.256 |
| InChI Key: | MKEQGUJZVXOLEV-UHFFFAOYSA-N |