ethyl 2-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1(6H)-yl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1(6H)-yl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1(6H)-yl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | G857-0225 |
| Compound Name: | ethyl 2-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1(6H)-yl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 497.62 |
| Molecular Formula: | C25 H31 N5 O4 S |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(CN1C(=NC(C)=C(C)C1=O)n1c(C)cc(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1826 |
| logD: | 1.3081 |
| logSw: | -3.3335 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.842 |
| InChI Key: | NTMPPPGDJPJTNS-UHFFFAOYSA-N |