ethyl 2-{2-[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-{2-[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5774-0076 |
| Compound Name: | ethyl 2-{2-[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 422.52 |
| Molecular Formula: | C18 H22 N4 O4 S2 |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(CSC1NC(C=C(N)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0703 |
| logD: | 0.2396 |
| logSw: | -2.5426 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 98.63 |
| InChI Key: | SWXVVPBJEHMIIJ-UHFFFAOYSA-N |