2-{[(3-bromophenyl)methyl]sulfanyl}-N-(2,2-dimethoxyethyl)pyridine-3-carboxamide
Chemical Structure Depiction of
2-{[(3-bromophenyl)methyl]sulfanyl}-N-(2,2-dimethoxyethyl)pyridine-3-carboxamide
2-{[(3-bromophenyl)methyl]sulfanyl}-N-(2,2-dimethoxyethyl)pyridine-3-carboxamide
Compound characteristics
| Compound ID: | K781-5367 |
| Compound Name: | 2-{[(3-bromophenyl)methyl]sulfanyl}-N-(2,2-dimethoxyethyl)pyridine-3-carboxamide |
| Molecular Weight: | 411.32 |
| Molecular Formula: | C17 H19 Br N2 O3 S |
| Smiles: | COC(CNC(c1cccnc1SCc1cccc(c1)[Br])=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.8264 |
| logD: | 2.8264 |
| logSw: | -3.5604 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.325 |
| InChI Key: | ULOKRSJRNSGCRR-UHFFFAOYSA-N |