1-methyl-2-[2-(thiophen-2-yl)ethenyl]-1,4,5,6-tetrahydropyrimidine--2,3-dihydroxybutanedioic acid (1/1)
Chemical Structure Depiction of
1-methyl-2-[2-(thiophen-2-yl)ethenyl]-1,4,5,6-tetrahydropyrimidine--2,3-dihydroxybutanedioic acid (1/1)
1-methyl-2-[2-(thiophen-2-yl)ethenyl]-1,4,5,6-tetrahydropyrimidine--2,3-dihydroxybutanedioic acid (1/1)
Compound characteristics
| Compound ID: | 8010-3914 |
| Compound Name: | 1-methyl-2-[2-(thiophen-2-yl)ethenyl]-1,4,5,6-tetrahydropyrimidine--2,3-dihydroxybutanedioic acid (1/1) |
| Molecular Weight: | 356.39 |
| Molecular Formula: | C11 H14 N2 S |
| Salt: | HOOCCH(OH)CH(OH)COOH |
| Smiles: | CN1CCCN=C1/C=C/c1cccs1 |
| Stereo: | ACHIRAL |
| logP: | 2.0258 |
| logD: | -0.908 |
| logSw: | -1.9156 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 14.1659 |
| InChI Key: | YSAUAVHXTIETRK-AATRIKPKSA-N |