ethyl 2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3-[(thiophen-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3-[(thiophen-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3-[(thiophen-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-5053 |
| Compound Name: | ethyl 2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3-[(thiophen-2-yl)methyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 479.64 |
| Molecular Formula: | C21 H25 N3 O4 S3 |
| Smiles: | CCCCNC(CSC1=Nc2c(C(N1Cc1cccs1)=O)c(C)c(C(=O)OCC)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9552 |
| logD: | 3.9552 |
| logSw: | -3.9594 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.03 |
| InChI Key: | XXLNZFBEXYSYRD-UHFFFAOYSA-N |