N-butyl-N-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-oxopropyl)-5-methylpyrazine-2-carboxamide
Chemical Structure Depiction of
N-butyl-N-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-oxopropyl)-5-methylpyrazine-2-carboxamide
N-butyl-N-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-oxopropyl)-5-methylpyrazine-2-carboxamide
Compound characteristics
| Compound ID: | V012-5078 |
| Compound Name: | N-butyl-N-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-oxopropyl)-5-methylpyrazine-2-carboxamide |
| Molecular Weight: | 428.53 |
| Molecular Formula: | C23 H32 N4 O4 |
| Smiles: | CCCCN(CCC(NCCc1ccc(c(c1)OC)OC)=O)C(c1cnc(C)cn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4596 |
| logD: | 1.4596 |
| logSw: | -2.0709 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.061 |
| InChI Key: | KTBYVYGGRGEZIM-UHFFFAOYSA-N |