ethyl 4-({[3-(azepan-1-yl)propyl][(furan-2-yl)methyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({[3-(azepan-1-yl)propyl][(furan-2-yl)methyl]carbamothioyl}amino)benzoate
ethyl 4-({[3-(azepan-1-yl)propyl][(furan-2-yl)methyl]carbamothioyl}amino)benzoate
Compound characteristics
| Compound ID: | C087-0127 |
| Compound Name: | ethyl 4-({[3-(azepan-1-yl)propyl][(furan-2-yl)methyl]carbamothioyl}amino)benzoate |
| Molecular Weight: | 443.61 |
| Molecular Formula: | C24 H33 N3 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(N(CCCN1CCCCCC1)Cc1ccco1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3358 |
| logD: | 3.2991 |
| logSw: | -5.0662 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.222 |
| InChI Key: | IHPAPQFGVNWMBN-UHFFFAOYSA-N |