Chemical ID: 4936807

c1ccc2c(c1)ccn3c2nnc3NS(=O)(=O)c4ccc(cc4S)F
Chemical ID:
4936807
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccn3c2nnc3NS(=O)(=O)c4ccc(cc4S)F
InChi [?]:
InChI=1/C16H11FN4O2S2/c17-11-5-6-14(13(24)9-11)25(22,23)20-16-19-18-15-12-4-2-1-3-10(12)7-8-21(15)16/h1-9,24H,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,20,19,7,8,22,5,21,4,23,18,10,13,25,11,12,14,9,16,17,24,15/E:(22,23)/CRV:25.6/rA:25nCCCCCCCCNCNNCNSOOCCCCCCSF/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s4s9;d10;s11;s9d12;s13;s14;d15;d15;s15;s18;d19;s20;d21;d18s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11FN4O2S2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.41819
Area:515.15
Solvation:-3.46056
Coulombic:-30.1685
Bond Count [?]
All:28
Single:17
Double:11
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:374.415
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.16
LogP (Chemaxon):2.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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