Chemical ID: 7692480

COc1ccc(c(c1)NC(=O)c2c(c3c(cc(nc3s2)Cc4ccccc4)C(F)(F)F)N)OC
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

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