3-({[4-tert-butyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-ethylbenzamide
Chemical Structure Depiction of
3-({[4-tert-butyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-ethylbenzamide
3-({[4-tert-butyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-ethylbenzamide
Compound characteristics
| Compound ID: | V025-6668 |
| Compound Name: | 3-({[4-tert-butyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-ethylbenzamide |
| Molecular Weight: | 398.57 |
| Molecular Formula: | C22 H30 N4 O S |
| Salt: | not_available |
| Smiles: | CCNC(c1cccc(CSc2nc(cc(n2)N2CCCC2)C(C)(C)C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9501 |
| logD: | 4.9495 |
| logSw: | -4.6997 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.853 |
| InChI Key: | WVIBKQCKIOPEPP-UHFFFAOYSA-N |