methyl 3-{[3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbonyl]amino}benzoate
methyl 3-{[3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | M036-0052 |
| Compound Name: | methyl 3-{[3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbonyl]amino}benzoate |
| Molecular Weight: | 377.42 |
| Molecular Formula: | C20 H15 N3 O3 S |
| Smiles: | COC(c1cccc(c1)NC(c1c(c2cccnc2s1)n1cccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3 |
| logD: | 4.3 |
| logSw: | -4.4702 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.04 |
| InChI Key: | GJCCAZWEADZFJD-UHFFFAOYSA-N |