ethyl 4-({[(furan-2-yl)methyl][3-(piperidin-1-yl)propyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({[(furan-2-yl)methyl][3-(piperidin-1-yl)propyl]carbamothioyl}amino)benzoate
ethyl 4-({[(furan-2-yl)methyl][3-(piperidin-1-yl)propyl]carbamothioyl}amino)benzoate
Compound characteristics
| Compound ID: | C087-0123 |
| Compound Name: | ethyl 4-({[(furan-2-yl)methyl][3-(piperidin-1-yl)propyl]carbamothioyl}amino)benzoate |
| Molecular Weight: | 429.58 |
| Molecular Formula: | C23 H31 N3 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(N(CCCN1CCCCC1)Cc1ccco1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8399 |
| logD: | 2.7778 |
| logSw: | -4.2872 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.891 |
| InChI Key: | YANXJXWDQWUQGD-UHFFFAOYSA-N |