methyl 2-[(4-carbamoylpiperidine-1-carbothioyl)amino]-4,5-diethoxybenzoate
Chemical Structure Depiction of
methyl 2-[(4-carbamoylpiperidine-1-carbothioyl)amino]-4,5-diethoxybenzoate
methyl 2-[(4-carbamoylpiperidine-1-carbothioyl)amino]-4,5-diethoxybenzoate
Compound characteristics
| Compound ID: | K284-7468 |
| Compound Name: | methyl 2-[(4-carbamoylpiperidine-1-carbothioyl)amino]-4,5-diethoxybenzoate |
| Molecular Weight: | 409.5 |
| Molecular Formula: | C19 H27 N3 O5 S |
| Smiles: | CCOc1cc(C(=O)OC)c(cc1OCC)NC(N1CCC(CC1)C(N)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 1.6407 |
| logD: | 1.6392 |
| logSw: | -2.7223 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.092 |
| InChI Key: | CRFRKVDTPXANEI-UHFFFAOYSA-N |