Chemical ID: 6372744

Cc1cc(n(n1)C(=O)c2ccccc2C(=O)n3c(cc(n3)C)C)C
Chemical ID:
6372744
Name [?]:
(3,5-dimethylpyrazol-1-yl)-[2-(3,5-dimethylpyrazol-1-yl)carbonylphenyl]-methanone
SMILES [?]:
Cc1cc(n(n1)C(=O)c2ccccc2C(=O)n3c(cc(n3)C)C)C
InChi [?]:
InChI=1/C18H18N4O2/c1-11-9-13(3)21(19-11)17(23)15-7-5-6-8-16(15)18(24)22-14(4)10-12(2)20-22/h5-10H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,22,24,23,11,12,10,13,3,19,2,20,4,18,9,14,7,15,6,21,5,17,8,16/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/rA:24nCCCCNNCOCCCCCCCONCCCNCCC/rB:s1;s2;d3;s4;d2s5;s5;d7;s7;s9;d10;s11;d12;d9s13;s14;d15;s15;s17;d18;s19;s17d20;s20;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N4O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.88621
Area:511.589
Solvation:-2.90351
Coulombic:-30.2132
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:322.361
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.89
LogP (Chemaxon):1.58

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Descriptor Annotations

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