Chemical ID: 5695296

CC1(CC(=C2C(Nc3cc(ccc3N=C2C1)C(=O)c4ccccc4)c5ccc(cc5)F)O)C
Chemical ID:
5695296
Name [?]:
None
SMILES [?]:
CC1(CC(=C2C(Nc3cc(ccc3N=C2C1)C(=O)c4ccccc4)c5ccc(cc5)F)O)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/h3-14,26,31-32H,15-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,33,22,21,23,20,24,26,30,11,27,29,12,9,16,3,25,19,10,28,13,8,15,4,5,6,17,2,31,14,7,32,18/E:(1,2)(4,5)(6,7)(8,9)(11,12)/rA:33cCCCCCCNCCCCCCNCCCOCCCCCCCCCCCCFOC/rB:s1;s2;s3;d4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s5d14;s2s15;s10;d17;s17;s19;d20;s21;d22;d19s23;s6;s25;d26;s27;d28;d25s29;s28;s4;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H25FN2O2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:11.8102
Area:626.839
Solvation:-3.86081
Coulombic:-48.4604
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:5.46
LogP (Chemaxon):5.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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