ethyl 3-{[4-(ethoxycarbonyl)piperazine-1-carbothioyl]amino}-5-methoxy-1H-indole-2-carboxylate
Chemical Structure Depiction of
ethyl 3-{[4-(ethoxycarbonyl)piperazine-1-carbothioyl]amino}-5-methoxy-1H-indole-2-carboxylate
ethyl 3-{[4-(ethoxycarbonyl)piperazine-1-carbothioyl]amino}-5-methoxy-1H-indole-2-carboxylate
Compound characteristics
| Compound ID: | C200-2476 |
| Compound Name: | ethyl 3-{[4-(ethoxycarbonyl)piperazine-1-carbothioyl]amino}-5-methoxy-1H-indole-2-carboxylate |
| Molecular Weight: | 434.51 |
| Molecular Formula: | C20 H26 N4 O5 S |
| Smiles: | CCOC(c1c(c2cc(ccc2[nH]1)OC)NC(N1CCN(CC1)C(=O)OCC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7697 |
| logD: | 2.7696 |
| logSw: | -3.2344 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.938 |
| InChI Key: | QBGCNDQPAVSZOQ-UHFFFAOYSA-N |