Chemical ID: 7677712

CC1CCC2=C(C1)C(C(C(=C2C#N)N)(C#N)C#N)c3ccc(c(c3)OC)OCc4ccccc4
Chemical ID:
7677712
Name [?]:
None
SMILES [?]:
CC1CCC2=C(C1)C(C(C(=C2C#N)N)(C#N)C#N)c3ccc(c(c3)OC)OCc4ccccc4
InChi [?]:
InChI=1/C28H26N4O2/c1-18-8-10-21-22(12-18)26(28(16-30,17-31)27(32)23(21)14-29)20-9-11-24(25(13-20)33-2)34-15-19-6-4-3-5-7-19/h3-7,9,11,13,18,26H,8,10,12,15,32H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,32,31,33,30,34,3,20,4,21,7,24,12,28,15,17,2,29,19,5,6,11,22,23,8,10,9,13,16,18,14,25,27/E:(4,5)(6,7)(16,17)(30,31)/rA:34cCCCCCCCCCCCCNNCNCNCCCCCCOCOCCCCCCC/rB:s1;s2;s3;s4;d5;s2s6;s6;s8;s9;s5d10;s11;t12;s10;s9;t15;s9;t17;s8;s19;d20;s21;d22;d19s23;s23;s25;s22;s27;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H26N4O2
All Atoms:60
Heavy Atoms:34
Chiral Atoms:None
ZAP Information [?]
Total:11.1076
Area:688.267
Solvation:-6.09906
Coulombic:-42.701
Bond Count [?]
All:37
Single:26
Double:8
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:5.15
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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