Chemical ID: 4507607

Cc1c(c(n(n1)c2ccccc2)C)C=NN3CCN(CC3)Cc4ccccc4
Chemical ID:
4507607
Name [?]:
N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-methanimine
SMILES [?]:
Cc1c(c(n(n1)c2ccccc2)C)C=NN3CCN(CC3)Cc4ccccc4
InChi [?]:
InChI=1/C23H27N5/c1-19-23(20(2)28(25-19)22-11-7-4-8-12-22)17-24-27-15-13-26(14-16-27)18-21-9-5-3-6-10-21/h3-12,17H,13-16,18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,26,10,25,27,9,11,24,28,8,12,18,20,17,21,14,22,2,4,23,7,3,15,6,19,16,5/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:28nCCCCNNCCCCCCCCNNCCNCCCCCCCCC/rB:s1;s2;d3;s4;d2s5;s5;s7;d8;s9;d10;d7s11;s4;s3;w14;s15;s16;s17;s18;s19;s16s20;s19;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H27N5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.4191
Area:594.48
Solvation:-3.44295
Coulombic:-15.3242
Bond Count [?]
All:31
Single:22
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:373.494
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.97
LogP (Chemaxon):3.73

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Descriptor Annotations

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