methyl 4-chloro-2-{[4-(1H-indol-3-yl)-3,6-dihydropyridine-1(2H)-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-chloro-2-{[4-(1H-indol-3-yl)-3,6-dihydropyridine-1(2H)-carbonyl]amino}benzoate
methyl 4-chloro-2-{[4-(1H-indol-3-yl)-3,6-dihydropyridine-1(2H)-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | E771-0405 |
| Compound Name: | methyl 4-chloro-2-{[4-(1H-indol-3-yl)-3,6-dihydropyridine-1(2H)-carbonyl]amino}benzoate |
| Molecular Weight: | 409.87 |
| Molecular Formula: | C22 H20 Cl N3 O3 |
| Smiles: | COC(c1ccc(cc1NC(N1CCC(=CC1)c1c[nH]c2ccccc12)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9187 |
| logD: | 4.8336 |
| logSw: | -4.8315 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.783 |
| InChI Key: | WXYLBSSKRQGCEK-UHFFFAOYSA-N |