Chemical ID: 4578529

COc1ccccc1c2c3c(cc(n2)C(=O)NCc4ccc(cc4)F)c5ccccc5[nH]3
Chemical ID:
4578529
Name [?]:
None
SMILES [?]:
COc1ccccc1c2c3c(cc(n2)C(=O)NCc4ccc(cc4)F)c5ccccc5[nH]3
InChi [?]:
InChI=1/C26H20FN3O2/c1-32-23-9-5-3-7-19(23)24-25-20(18-6-2-4-8-21(18)29-25)14-22(30-24)26(31)28-15-16-10-12-17(27)13-11-16/h2-14,29H,15H2,1H3,(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,28,6,29,5,27,7,30,4,20,24,21,23,12,18,19,22,26,8,11,31,13,3,9,10,15,25,17,32,14,16,2/E:(10,11)(12,13)/rA:32nCOCCCCCCCCCCCNCONCCCCCCCFCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;d12;d9s13;s13;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;s11;s26;d27;s28;d29;d26s30;s10s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H20FN3O2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:11.572
Area:644.36
Solvation:-4.53698
Coulombic:-53.4439
Bond Count [?]
All:36
Single:23
Double:13
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:425.454
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.59
LogP (Chemaxon):5.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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