Chemical ID: 4347586

CC1(CC2=C(C(Nc3cc(ccc3N2)C(=O)c4ccccc4)c5ccc(cc5)F)C(=O)C1)C
Chemical ID:
4347586
Name [?]:
None
SMILES [?]:
CC1(CC2=C(C(Nc3cc(ccc3N2)C(=O)c4ccccc4)c5ccc(cc5)F)C(=O)C1)C
InChi [?]:
InChI=1/C28H25FN2O2/c1-28(2)15-23-25(24(32)16-28)26(17-8-11-20(29)12-9-17)31-22-14-19(10-13-21(22)30-23)27(33)18-6-4-3-5-7-18/h3-14,26,30-31H,15-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,33,20,19,21,18,22,24,28,11,25,27,12,9,3,32,23,17,10,26,13,8,4,30,5,6,15,2,29,14,7,31,16/E:(1,2)(4,5)(6,7)(8,9)(11,12)/rA:33cCCCCCCNCCCCCCNCOCCCCCCCCCCCCFCOCC/rB:s1;s2;s3;d4;s5;s6;s7;s8;d9;s10;d11;d8s12;s4s13;s10;d15;s15;s17;d18;s19;d20;d17s21;s6;s23;d24;s25;d26;d23s27;s26;s5;d30;s2s30;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H25FN2O2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:11.9261
Area:632.277
Solvation:-3.88085
Coulombic:-45.8928
Bond Count [?]
All:37
Single:25
Double:12
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:440.509
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.8
LogP (Chemaxon):5.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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