4-propyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-propyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]cyclohexane-1-carboxamide
4-propyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]cyclohexane-1-carboxamide
Compound characteristics
Compound ID: | C066-4179 |
Compound Name: | 4-propyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]cyclohexane-1-carboxamide |
Molecular Weight: | 380.53 |
Molecular Formula: | C23 H32 N4 O |
Smiles: | CCCC1CCC(CC1)C(Nc1ccc(cc1)c1nnc2CCCCCn12)=O |
Stereo: | ACHIRAL |
logP: | 4.8853 |
logD: | 4.8849 |
logSw: | -4.4372 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 48.546 |
InChI Key: | IOLRTLIPGFVZAL-UHFFFAOYSA-N |