ethyl 3-[(azepane-1-carbothioyl)amino]-5-methoxy-1H-indole-2-carboxylate
Chemical Structure Depiction of
ethyl 3-[(azepane-1-carbothioyl)amino]-5-methoxy-1H-indole-2-carboxylate
ethyl 3-[(azepane-1-carbothioyl)amino]-5-methoxy-1H-indole-2-carboxylate
Compound characteristics
Compound ID: | C200-2581 |
Compound Name: | ethyl 3-[(azepane-1-carbothioyl)amino]-5-methoxy-1H-indole-2-carboxylate |
Molecular Weight: | 375.49 |
Molecular Formula: | C19 H25 N3 O3 S |
Smiles: | CCOC(c1c(c2cc(ccc2[nH]1)OC)NC(N1CCCCCC1)=S)=O |
Stereo: | ACHIRAL |
logP: | 3.7278 |
logD: | 3.7278 |
logSw: | -4.0416 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 48.489 |
InChI Key: | KBSDFJZIPNYDIZ-UHFFFAOYSA-N |