ethyl 4-({[2-(azepan-1-yl)ethyl][(furan-2-yl)methyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({[2-(azepan-1-yl)ethyl][(furan-2-yl)methyl]carbamothioyl}amino)benzoate
ethyl 4-({[2-(azepan-1-yl)ethyl][(furan-2-yl)methyl]carbamothioyl}amino)benzoate
Compound characteristics
Compound ID: | C087-0129 |
Compound Name: | ethyl 4-({[2-(azepan-1-yl)ethyl][(furan-2-yl)methyl]carbamothioyl}amino)benzoate |
Molecular Weight: | 429.58 |
Molecular Formula: | C23 H31 N3 O3 S |
Smiles: | CCOC(c1ccc(cc1)NC(N(CCN1CCCCCC1)Cc1ccco1)=S)=O |
Stereo: | ACHIRAL |
logP: | 5.0617 |
logD: | 2.2367 |
logSw: | -4.3259 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 43.222 |
InChI Key: | JAACPTLVSQHMPO-UHFFFAOYSA-N |