methyl 3-[(4-benzylpiperazine-1-carbothioyl)amino]thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[(4-benzylpiperazine-1-carbothioyl)amino]thiophene-2-carboxylate
methyl 3-[(4-benzylpiperazine-1-carbothioyl)amino]thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C200-1726 |
| Compound Name: | methyl 3-[(4-benzylpiperazine-1-carbothioyl)amino]thiophene-2-carboxylate |
| Molecular Weight: | 375.51 |
| Molecular Formula: | C18 H21 N3 O2 S2 |
| Smiles: | COC(c1c(ccs1)NC(N1CCN(CC1)Cc1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3044 |
| logD: | 3.0544 |
| logSw: | -3.4738 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.172 |
| InChI Key: | OZJZXSOLEXKYBV-UHFFFAOYSA-N |