ethyl 5-methoxy-3-{[4-(pyrimidin-2-yl)piperazine-1-carbothioyl]amino}-1H-indole-2-carboxylate
Chemical Structure Depiction of
ethyl 5-methoxy-3-{[4-(pyrimidin-2-yl)piperazine-1-carbothioyl]amino}-1H-indole-2-carboxylate
ethyl 5-methoxy-3-{[4-(pyrimidin-2-yl)piperazine-1-carbothioyl]amino}-1H-indole-2-carboxylate
Compound characteristics
| Compound ID: | C200-2507 |
| Compound Name: | ethyl 5-methoxy-3-{[4-(pyrimidin-2-yl)piperazine-1-carbothioyl]amino}-1H-indole-2-carboxylate |
| Molecular Weight: | 440.52 |
| Molecular Formula: | C21 H24 N6 O3 S |
| Smiles: | CCOC(c1c(c2cc(ccc2[nH]1)OC)NC(N1CCN(CC1)c1ncccn1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0318 |
| logD: | 3.0317 |
| logSw: | -3.3766 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.781 |
| InChI Key: | YRHCGLDQXCJBGR-UHFFFAOYSA-N |