ethyl 2-[(cyanomethyl)sulfanyl]-5-methyl-4-oxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-[(cyanomethyl)sulfanyl]-5-methyl-4-oxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-[(cyanomethyl)sulfanyl]-5-methyl-4-oxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | A0062921 |
| Compound Name: | ethyl 2-[(cyanomethyl)sulfanyl]-5-methyl-4-oxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 413.52 |
| Molecular Formula: | C20 H19 N3 O3 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(CCc3ccccc3)C(=Nc2s1)SCC#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6514 |
| logD: | 3.6514 |
| logSw: | -3.9395 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.169 |
| InChI Key: | VCDMUDYVJILQCQ-UHFFFAOYSA-N |