Chemical ID: 4802358

c1ccc2c(c1)C3N(C2=O)C(CS3)C(=O)NCCc4cccc(c4)F
Chemical ID:
4802358
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3N(C2=O)C(CS3)C(=O)NCCc4cccc(c4)F
InChi [?]:
InChI=1/C19H17FN2O2S/c20-13-5-3-4-12(10-13)8-9-21-17(23)16-11-25-19-15-7-2-1-6-14(15)18(24)22(16)19/h1-7,10,16,19H,8-9,11H2,(H,21,23)
InChi Info:
AuxInfo=1/1/N:2,1,21,20,22,3,6,18,17,24,12,19,23,4,5,11,14,9,7,25,16,8,15,10,13/rA:25cCCCCCCCNCOCCSCONCCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;d9;s8;s11;s7s12;s11;d14;s14;s16;s17;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17FN2O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:2
ZAP Information [?]
Total:9.51841
Area:554.838
Solvation:-4.35253
Coulombic:-44.4544
Bond Count [?]
All:28
Single:20
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:356.415
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.07
LogP (Chemaxon):2.73

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Descriptor Annotations

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