ethyl 1-[3-({[4-(dimethylamino)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[3-({[4-(dimethylamino)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate
ethyl 1-[3-({[4-(dimethylamino)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V025-7509 |
| Compound Name: | ethyl 1-[3-({[4-(dimethylamino)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate |
| Molecular Weight: | 456.61 |
| Molecular Formula: | C24 H32 N4 O3 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1cccc(c1)C(N1CCCC(C1)C(=O)OCC)=O)N(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1094 |
| logD: | 4.0595 |
| logSw: | -4.1691 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.359 |
| InChI Key: | FDMDPPHUABUMHC-IBGZPJMESA-N |