N,N-diethyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N,N-diethyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepane-1-carboxamide
N,N-diethyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepane-1-carboxamide
Compound characteristics
Compound ID: | SA53-1013 |
Compound Name: | N,N-diethyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepane-1-carboxamide |
Molecular Weight: | 385.47 |
Molecular Formula: | C19 H27 N7 O2 |
Smiles: | CCN(CC)C(N1CCCN(C(C1)c1nc(C)n[nH]1)C(c1ccncc1)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 0.7973 |
logD: | 0.7942 |
logSw: | -1.1465 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 77.217 |
InChI Key: | BLBLWBHCDIWFGT-INIZCTEOSA-N |