ethyl 2-(2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5774-0023 |
| Compound Name: | ethyl 2-(2-{[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 448.56 |
| Molecular Formula: | C20 H24 N4 O4 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSC1=NC(C=C(N)N1CC=C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4473 |
| logD: | 0.6165 |
| logSw: | -2.7418 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.681 |
| InChI Key: | YBRKXOMHAKLFOA-UHFFFAOYSA-N |