Chemical ID: 7094526

CC1CC2=C(C(Nc3ccccc3N2)c4ccc(cc4)F)C(=O)C1
Chemical ID:
7094526
Name [?]:
None
SMILES [?]:
CC1CC2=C(C(Nc3ccccc3N2)c4ccc(cc4)F)C(=O)C1
InChi [?]:
InChI=1/C20H19FN2O/c1-12-10-17-19(18(24)11-12)20(13-6-8-14(21)9-7-13)23-16-5-3-2-4-15(16)22-17/h2-9,12,20,22-23H,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,12,9,16,20,17,19,3,24,2,15,18,13,8,4,22,5,6,21,14,7,23/E:(6,7)(8,9)/rA:24cCCCCCCNCCCCCCNCCCCCCFCOC/rB:s1;s2;s3;d4;s5;s6;s7;s8;d9;s10;d11;d8s12;s4s13;s6;s15;d16;s17;d18;d15s19;s18;s5;d22;s2s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19FN2O
All Atoms:43
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:9.26725
Area:483.497
Solvation:-2.82019
Coulombic:-35.9832
Bond Count [?]
All:27
Single:19
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:322.376
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.64
LogP (Chemaxon):3.41

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Descriptor Annotations

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