Chemical ID: 4092227

CC(C)(C)C(=O)C1C(C(C2N1C=Cc3c2cccc3)(C#N)C#N)c4cccc5c4cccc5
Chemical ID:
4092227
Name [?]:
None
SMILES [?]:
CC(C)(C)C(=O)C1C(C(C2N1C=Cc3c2cccc3)(C#N)C#N)c4cccc5c4cccc5
InChi [?]:
InChI=1/C29H25N3O/c1-28(2,3)27(33)25-24(23-14-8-11-19-9-4-6-12-21(19)23)29(17-30,18-31)26-22-13-7-5-10-20(22)15-16-32(25)26/h4-16,24-26H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,32,18,31,17,26,33,19,27,30,16,25,13,12,20,22,28,14,29,15,24,8,7,10,5,2,9,21,23,11,6/E:(1,2,3)(17,18)(30,31)/rA:33cCCCCCOCCCCNCCCCCCCCCNCNCCCCCCCCCC/rB:s1;s2;s2;s2;d5;s5;s7;s8;s9;s7s10;s11;d12;s13;s10s14;d15;s16;d17;d14s18;s9;t20;s9;t22;s8;s24;d25;s26;d27;d24s28;s29;d30;s31;s28d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H25N3O
All Atoms:33
Heavy Atoms:33
Chiral Atoms:4
ZAP Information [?]
Total:11.7757
Area:600.146
Solvation:-3.22799
Coulombic:-24.5196
Bond Count [?]
All:37
Single:25
Double:10
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:431.528
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.69
LogP (Chemaxon):7.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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