methyl 3-{[5-{[(3-fluorophenyl)methyl]carbamoyl}-2-(pyrrolidin-1-yl)phenyl]carbamamido}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[5-{[(3-fluorophenyl)methyl]carbamoyl}-2-(pyrrolidin-1-yl)phenyl]carbamamido}thiophene-2-carboxylate
methyl 3-{[5-{[(3-fluorophenyl)methyl]carbamoyl}-2-(pyrrolidin-1-yl)phenyl]carbamamido}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | G545-1040 |
| Compound Name: | methyl 3-{[5-{[(3-fluorophenyl)methyl]carbamoyl}-2-(pyrrolidin-1-yl)phenyl]carbamamido}thiophene-2-carboxylate |
| Molecular Weight: | 496.56 |
| Molecular Formula: | C25 H25 F N4 O4 S |
| Smiles: | COC(c1c(ccs1)NC(Nc1cc(ccc1N1CCCC1)C(NCc1cccc(c1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5752 |
| logD: | 4.5741 |
| logSw: | -4.4172 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.269 |
| InChI Key: | CXJZHDLEDISVFH-UHFFFAOYSA-N |