methyl 3-amino-5-methyl-2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 3-amino-5-methyl-2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
methyl 3-amino-5-methyl-2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C494-0091 |
| Compound Name: | methyl 3-amino-5-methyl-2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 418.49 |
| Molecular Formula: | C18 H18 N4 O4 S2 |
| Smiles: | Cc1cccc(c1)NC(CSC1=Nc2c(C(N1N)=O)c(C)c(C(=O)OC)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4162 |
| logD: | 2.4162 |
| logSw: | -2.8643 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.773 |
| InChI Key: | AUROAVHZHWECIK-UHFFFAOYSA-N |