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Chemical ID: 7677712
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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