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Chemical ID: 7692480
Chemical ID:
7692480
Name [?]:
None
SMILES [?]:
COc1ccc(c(c1)NC(=O)c2c(c3c(cc(nc3s2)Cc4ccccc4)C(F)(F)F)N)OC
InChi [?]:
InChI=1/C24H20F3N3O3S/c1-32-15-8-9-18(33-2)17(12-15)30-22(31)21-20(28)19-16(24(25,26)27)11-14(29-23(19)34-21)10-13-6-4-3-5-7-13/h3-9,11-12H,10,28H2,1-2H3,(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,34,25,24,26,23,27,4,5,21,16,8,22,17,3,15,7,6,14,13,12,10,19,28,29,30,31,32,18,9,11,2,33,20/E:(4,5)(6,7)(25,26,27)/rA:34nCOCCCCCCNCOCCCCCCNCSCCCCCCCCFFFNOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;d12;s13;s14;d15;s16;d17;d14s18;s12s19;s17;s21;s22;d23;s24;d25;d22s26;s15;s28;s28;s28;s13;s6;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20F3N3O3S |
All Atoms: | 54 |
Heavy Atoms: | 34 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.0108 |
Area: | 672.498 |
Solvation: | -5.80163 |
Coulombic: | -76.4123 |
Bond Count [?]
All: | 37 |
Single: | 26 |
Double: | 11 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.73 |
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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