methyl 3,4-diethoxy-5-{[4-phenyl-3-(1H-pyrrol-1-yl)thiophene-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3,4-diethoxy-5-{[4-phenyl-3-(1H-pyrrol-1-yl)thiophene-2-carbonyl]amino}benzoate
methyl 3,4-diethoxy-5-{[4-phenyl-3-(1H-pyrrol-1-yl)thiophene-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | F423-0042 |
| Compound Name: | methyl 3,4-diethoxy-5-{[4-phenyl-3-(1H-pyrrol-1-yl)thiophene-2-carbonyl]amino}benzoate |
| Molecular Weight: | 490.58 |
| Molecular Formula: | C27 H26 N2 O5 S |
| Smiles: | CCOc1cc(cc(c1OCC)NC(c1c(c(cs1)c1ccccc1)n1cccc1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 6.1168 |
| logD: | 6.1166 |
| logSw: | -5.5117 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.444 |
| InChI Key: | RKBKNLAPEAOMQA-UHFFFAOYSA-N |