methyl 3-[(4-carbamoylpiperidine-1-carbothioyl)amino]thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[(4-carbamoylpiperidine-1-carbothioyl)amino]thiophene-2-carboxylate
methyl 3-[(4-carbamoylpiperidine-1-carbothioyl)amino]thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C200-1592 |
| Compound Name: | methyl 3-[(4-carbamoylpiperidine-1-carbothioyl)amino]thiophene-2-carboxylate |
| Molecular Weight: | 327.42 |
| Molecular Formula: | C13 H17 N3 O3 S2 |
| Smiles: | COC(c1c(ccs1)NC(N1CCC(CC1)C(N)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3677 |
| logD: | 1.3676 |
| logSw: | -2.1783 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 66.69 |
| InChI Key: | HHDDJVVDNMHSGL-UHFFFAOYSA-N |