ethyl 4-{[({1-[(thiophen-2-yl)methyl]piperidin-4-yl}methyl)carbamothioyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[({1-[(thiophen-2-yl)methyl]piperidin-4-yl}methyl)carbamothioyl]amino}benzoate
ethyl 4-{[({1-[(thiophen-2-yl)methyl]piperidin-4-yl}methyl)carbamothioyl]amino}benzoate
Compound characteristics
| Compound ID: | 8018-4336 |
| Compound Name: | ethyl 4-{[({1-[(thiophen-2-yl)methyl]piperidin-4-yl}methyl)carbamothioyl]amino}benzoate |
| Molecular Weight: | 417.59 |
| Molecular Formula: | C21 H27 N3 O2 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(NCC1CCN(CC1)Cc1cccs1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4997 |
| logD: | 2.5073 |
| logSw: | -3.9665 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.888 |
| InChI Key: | MAJRTLHJNGZEGX-UHFFFAOYSA-N |