methyl 4-{[4-(3-fluorophenyl)-3-(1H-pyrrol-1-yl)thiophene-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[4-(3-fluorophenyl)-3-(1H-pyrrol-1-yl)thiophene-2-carbonyl]amino}benzoate
methyl 4-{[4-(3-fluorophenyl)-3-(1H-pyrrol-1-yl)thiophene-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | F423-0821 |
| Compound Name: | methyl 4-{[4-(3-fluorophenyl)-3-(1H-pyrrol-1-yl)thiophene-2-carbonyl]amino}benzoate |
| Molecular Weight: | 420.46 |
| Molecular Formula: | C23 H17 F N2 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(c1c(c(cs1)c1cccc(c1)F)n1cccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.686 |
| logD: | 5.686 |
| logSw: | -5.6207 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.634 |
| InChI Key: | RJVRKDBSSGVULM-UHFFFAOYSA-N |