ethyl 2-{[4-(1H-indol-3-yl)-3,6-dihydropyridine-1(2H)-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[4-(1H-indol-3-yl)-3,6-dihydropyridine-1(2H)-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[4-(1H-indol-3-yl)-3,6-dihydropyridine-1(2H)-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | E771-0424 |
| Compound Name: | ethyl 2-{[4-(1H-indol-3-yl)-3,6-dihydropyridine-1(2H)-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C25 H27 N3 O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(N1CCC(=CC1)c1c[nH]c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6414 |
| logD: | 4.605 |
| logSw: | -5.6315 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.775 |
| InChI Key: | YAURYTFYZRSQJC-UHFFFAOYSA-N |