Chemical ID: 7686471

Cc1c2c(cc(nc2n(n1)C(C)C)C3CC3)C(=O)Nc4ccc(cc4)Cn5cc(cn5)Cl
Chemical ID:
7686471
Name [?]:
None
SMILES [?]:
Cc1c2c(cc(nc2n(n1)C(C)C)C3CC3)C(=O)Nc4ccc(cc4)Cn5cc(cn5)Cl
InChi [?]:
InChI=1/C24H25ClN6O/c1-14(2)31-23-22(15(3)29-31)20(10-21(28-23)17-6-7-17)24(32)27-19-8-4-16(5-9-19)12-30-13-18(25)11-26-30/h4-5,8-11,13-14,17H,6-7,12H2,1-3H3,(H,27,32)
InChi Info:
AuxInfo=1/1/N:12,13,1,22,24,15,16,21,25,5,30,26,28,11,2,23,14,29,20,4,6,3,8,17,32,31,19,7,10,27,9,18/E:(1,2)(4,5)(6,7)(8,9)/rA:32nCCCCCCNCNNCCCCCCCONCCCCCCCNCCCNCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s9;s11;s11;s6;s14;s14s15;s4;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;s26;s27;d28;s29;s27d30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H25ClN6O
All Atoms:57
Heavy Atoms:32
Chiral Atoms:None
ZAP Information [?]
Total:13.5067
Area:698.64
Solvation:-3.95931
Coulombic:-35.5357
Bond Count [?]
All:36
Single:26
Double:10
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.77
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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