methyl 3-amino-2-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 3-amino-2-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
methyl 3-amino-2-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C494-0062 |
| Compound Name: | methyl 3-amino-2-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 432.52 |
| Molecular Formula: | C19 H20 N4 O4 S2 |
| Smiles: | Cc1ccc(cc1C)NC(CSC1=Nc2c(C(N1N)=O)c(C)c(C(=O)OC)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0437 |
| logD: | 3.0437 |
| logSw: | -3.3212 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.773 |
| InChI Key: | CXEVNFGWOXWNDM-UHFFFAOYSA-N |