N-benzyl-3-[3-(benzylamino)-3-oxopropyl]-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazine-5(4H)-carboxamide
Chemical Structure Depiction of
N-benzyl-3-[3-(benzylamino)-3-oxopropyl]-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazine-5(4H)-carboxamide
N-benzyl-3-[3-(benzylamino)-3-oxopropyl]-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazine-5(4H)-carboxamide
Compound characteristics
| Compound ID: | S586-1085 |
| Compound Name: | N-benzyl-3-[3-(benzylamino)-3-oxopropyl]-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazine-5(4H)-carboxamide |
| Molecular Weight: | 418.5 |
| Molecular Formula: | C23 H26 N6 O2 |
| Smiles: | C(Cc1c2CN(CCn2nn1)C(NCc1ccccc1)=O)C(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3313 |
| logD: | 1.3313 |
| logSw: | -1.9601 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.974 |
| InChI Key: | IVVNBGQIQHWOGG-UHFFFAOYSA-N |