2-[(cyanomethyl)sulfanyl]-N,N-diethyl-5-methyl-4-oxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-[(cyanomethyl)sulfanyl]-N,N-diethyl-5-methyl-4-oxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
2-[(cyanomethyl)sulfanyl]-N,N-diethyl-5-methyl-4-oxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | A0016840 |
| Compound Name: | 2-[(cyanomethyl)sulfanyl]-N,N-diethyl-5-methyl-4-oxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 440.59 |
| Molecular Formula: | C22 H24 N4 O2 S2 |
| Smiles: | CCN(CC)C(c1c(C)c2C(N(CCc3ccccc3)C(=Nc2s1)SCC#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3282 |
| logD: | 3.3282 |
| logSw: | -3.5335 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.347 |
| InChI Key: | JNNWXVMTEPUWFR-UHFFFAOYSA-N |