Chemical ID: 4813506

CCCCCC(=O)N1c2ccccc2NC3=C(C1c4ccccc4F)C(=O)CC(C3)c5ccccc5
Chemical ID:
4813506
Name [?]:
None
SMILES [?]:
CCCCCC(=O)N1c2ccccc2NC3=C(C1c4ccccc4F)C(=O)CC(C3)c5ccccc5
InChi [?]:
InChI=1/C31H31FN2O2/c1-2-3-5-18-29(36)34-27-17-11-10-16-25(27)33-26-19-22(21-12-6-4-7-13-21)20-28(35)30(26)31(34)23-14-8-9-15-24(23)32/h4,6-17,22,31,33H,2-3,5,18-20H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,34,4,33,35,21,22,12,11,32,36,20,23,13,10,5,30,28,31,29,19,24,14,16,9,26,6,17,18,25,15,8,27,7/E:(6,7)(12,13)/rA:36cCCCCCCONCCCCCCNCCCCCCCCCFCOCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;s15;d16;s8s17;s18;s19;d20;s21;d22;d19s23;s24;s17;d26;s26;s28;s16s29;s29;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H31FN2O2
All Atoms:36
Heavy Atoms:36
Chiral Atoms:2
ZAP Information [?]
Total:13.1007
Area:690.68
Solvation:-4.16628
Coulombic:-41.7511
Bond Count [?]
All:40
Single:28
Double:12
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:482.589
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.22
LogP (Chemaxon):5.97

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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