ethyl 2-{2-[(4-methoxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(4-methoxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[(4-methoxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8018-4099 |
| Compound Name: | ethyl 2-{2-[(4-methoxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 423.51 |
| Molecular Formula: | C18 H21 N3 O5 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSC1NC(C=C(N=1)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3101 |
| logD: | 0.4793 |
| logSw: | -2.6415 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.693 |
| InChI Key: | XKPZZUXSILNHDB-UHFFFAOYSA-N |