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Chemical ID: 7688293
Chemical ID:
7688293
Name [?]:
None
SMILES [?]:
C#CCN1c2ccccc2C3(C1=O)C(=C(N(C4=C3C(=O)CCC4)c5ccc(cc5)F)n6cccc6)C#N
InChi [?]:
InChI=1/C30H21FN4O2/c1-2-16-34-24-9-4-3-8-22(24)30(29(34)37)23(19-32)28(33-17-5-6-18-33)35(21-14-12-20(31)13-15-21)25-10-7-11-26(36)27(25)30/h1,3-6,8-9,12-15,17-18H,7,10-11,16H2
InChi Info:
AuxInfo=1/0/N:1,2,8,7,33,34,22,9,6,23,21,26,28,25,29,3,32,35,36,27,24,10,14,5,17,19,18,15,12,11,30,37,31,4,16,20,13/E:(5,6)(12,13)(14,15)(17,18)/rA:37cCCCNCCCCCCCCOCCNCCCOCCCCCCCCCFNCCCCCN/rB:t1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s4s11;d12;s11;d14;s15;s16;s11d17;s18;d19;s19;s21;s17s22;s16;s24;d25;s26;d27;d24s28;s27;s15;s31;d32;s33;s31d34;s14;t36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H21FN4O2 |
All Atoms: | 58 |
Heavy Atoms: | 37 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.9974 |
Area: | 644.039 |
Solvation: | -5.10356 |
Coulombic: | -43.6413 |
Bond Count [?]
All: | 42 |
Single: | 28 |
Double: | 12 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.51 |
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.
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