Chemical ID: 5509341

CC1CC2=C(C(Sc3ccccc3N2)c4ccc(cc4)F)C(=O)C1
Chemical ID:
5509341
Name [?]:
None
SMILES [?]:
CC1CC2=C(C(Sc3ccccc3N2)c4ccc(cc4)F)C(=O)C1
InChi [?]:
InChI=1/C20H18FNOS/c1-12-10-16-19(17(23)11-12)20(13-6-8-14(21)9-7-13)24-18-5-3-2-4-15(18)22-16/h2-9,12,20,22H,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,12,9,16,20,17,19,3,24,2,15,18,13,4,22,8,5,6,21,14,23,7/E:(6,7)(8,9)/rA:24cCCCCCCSCCCCCCNCCCCCCFCOC/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:C20H18FNOS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:9.45833
Area:492.055
Solvation:-2.84303
Coulombic:-25.2535
Bond Count [?]
All:27
Single:19
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:339.427
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.38
LogP (Chemaxon):4.28

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Descriptor Annotations

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