ethyl 4-({[3-(pyrrolidin-1-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({[3-(pyrrolidin-1-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)benzoate
ethyl 4-({[3-(pyrrolidin-1-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)benzoate
Compound characteristics
| Compound ID: | C087-0110 |
| Compound Name: | ethyl 4-({[3-(pyrrolidin-1-yl)propyl][(thiophen-2-yl)methyl]carbamothioyl}amino)benzoate |
| Molecular Weight: | 431.62 |
| Molecular Formula: | C22 H29 N3 O2 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(N(CCCN1CCCC1)Cc1cccs1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9003 |
| logD: | 2.4035 |
| logSw: | -4.3683 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.527 |
| InChI Key: | BYQHESRLNXOMTN-UHFFFAOYSA-N |