N'-(4-methylphenyl)-N-phenyl-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
Chemical Structure Depiction of
N'-(4-methylphenyl)-N-phenyl-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
N'-(4-methylphenyl)-N-phenyl-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
Compound characteristics
Compound ID: | G786-0663 |
Compound Name: | N'-(4-methylphenyl)-N-phenyl-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea |
Molecular Weight: | 375.47 |
Molecular Formula: | C22 H25 N5 O |
Smiles: | Cc1ccc(cc1)NC(N(Cc1nnc2CCCCCn12)c1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 3.6712 |
logD: | 3.6712 |
logSw: | -3.7111 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 50.682 |
InChI Key: | JZYVBEQSVPTERV-UHFFFAOYSA-N |