methyl 2-{[4-(1H-indol-3-yl)-3,6-dihydropyridine-1(2H)-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[4-(1H-indol-3-yl)-3,6-dihydropyridine-1(2H)-carbonyl]amino}benzoate
methyl 2-{[4-(1H-indol-3-yl)-3,6-dihydropyridine-1(2H)-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | E771-0373 |
| Compound Name: | methyl 2-{[4-(1H-indol-3-yl)-3,6-dihydropyridine-1(2H)-carbonyl]amino}benzoate |
| Molecular Weight: | 375.43 |
| Molecular Formula: | C22 H21 N3 O3 |
| Smiles: | COC(c1ccccc1NC(N1CCC(=CC1)c1c[nH]c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4239 |
| logD: | 4.4227 |
| logSw: | -4.2105 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.783 |
| InChI Key: | BPVYPWZGWACTQX-UHFFFAOYSA-N |