methyl 3-{[4-(1H-indol-3-yl)-3,6-dihydropyridine-1(2H)-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[4-(1H-indol-3-yl)-3,6-dihydropyridine-1(2H)-carbonyl]amino}benzoate
methyl 3-{[4-(1H-indol-3-yl)-3,6-dihydropyridine-1(2H)-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | E771-0438 |
| Compound Name: | methyl 3-{[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(c1cccc(c1)NC(N1CCC(=CC1)c1c[nH]c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5746 |
| logD: | 4.5746 |
| logSw: | -4.2712 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.481 |
| InChI Key: | RSOCTVHHIZAHLC-UHFFFAOYSA-N |