Chemical ID: 4815142

CCOc1ccccc1C2C(N3C=Cc4ccccc4C3C2(C#N)C#N)C(=O)C
Chemical ID:
4815142
Name [?]:
None
SMILES [?]:
CCOc1ccccc1C2C(N3C=Cc4ccccc4C3C2(C#N)C#N)C(=O)C
InChi [?]:
InChI=1/C24H21N3O2/c1-3-29-20-11-7-6-10-19(20)21-22(16(2)28)27-13-12-17-8-4-5-9-18(17)23(27)24(21,14-25)15-26/h4-13,21-23H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,2,17,18,7,6,16,19,8,5,14,13,23,25,27,15,20,9,4,10,11,21,22,24,26,12,28,3/E:(14,15)(25,26)/rA:29cCCOCCCCCCCCNCCCCCCCCCCCNCNCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;s15;d16;s17;d18;d15s19;s12s20;s10s21;s22;t23;s22;t25;s11;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H21N3O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:4
ZAP Information [?]
Total:9.87869
Area:561.526
Solvation:-4.15946
Coulombic:-28.8148
Bond Count [?]
All:32
Single:22
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:383.443
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.01
LogP (Chemaxon):4.48

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