Chemical ID: 4702710

c1cc(cc(c1)F)CN2c3cc(ccc3N4CSCC4C2=O)C(F)(F)F
Chemical ID:
4702710
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)F)CN2c3cc(ccc3N4CSCC4C2=O)C(F)(F)F
InChi [?]:
InChI=1/C18H14F4N2OS/c19-13-3-1-2-11(6-13)8-23-15-7-12(18(20,21)22)4-5-14(15)24-10-26-9-16(24)17(23)25/h1-7,16H,8-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,13,14,4,11,8,19,17,3,12,5,15,10,20,21,23,7,24,25,26,9,16,22,18/E:(20,21,22)/rA:26cCCCCCCFCNCCCCCCNCSCCCOCFFF/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;s16s19;s9s20;d21;s12;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14F4N2OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:2
ZAP Information [?]
Total:8.52739
Area:496.496
Solvation:-3.88501
Coulombic:-47.4334
Bond Count [?]
All:29
Single:22
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:382.376
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.39
LogP (Chemaxon):4.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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