methyl 3-{[4-(4-methoxyphenyl)-3-(1H-pyrrol-1-yl)thiophene-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[4-(4-methoxyphenyl)-3-(1H-pyrrol-1-yl)thiophene-2-carbonyl]amino}benzoate
methyl 3-{[4-(4-methoxyphenyl)-3-(1H-pyrrol-1-yl)thiophene-2-carbonyl]amino}benzoate
Compound characteristics
Compound ID: | F423-0784 |
Compound Name: | methyl 3-{[4-(4-methoxyphenyl)-3-(1H-pyrrol-1-yl)thiophene-2-carbonyl]amino}benzoate |
Molecular Weight: | 432.5 |
Molecular Formula: | C24 H20 N2 O4 S |
Smiles: | COC(c1cccc(c1)NC(c1c(c(cs1)c1ccc(cc1)OC)n1cccc1)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.788 |
logD: | 5.788 |
logSw: | -5.6303 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.178 |
InChI Key: | OXPFYPREIAYJQK-UHFFFAOYSA-N |