Chemical ID: 3904556

CC(=O)Nc1cccc(c1)NC(=O)CSc2nnnn2c3cccc(c3)F
Chemical ID:
3904556
Name [?]:
N-[3-[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]aminophenyl]acetamide
SMILES [?]:
CC(=O)Nc1cccc(c1)NC(=O)CSc2nnnn2c3cccc(c3)F
InChi [?]:
InChI=1/C17H15FN6O2S/c1-11(25)19-13-5-3-6-14(9-13)20-16(26)10-27-17-21-22-23-24(17)15-7-2-4-12(18)8-15/h2-9H,10H2,1H3,(H,19,25)(H,20,26)
InChi Info:
AuxInfo=1/1/N:1,23,7,24,6,8,22,26,10,14,2,25,5,9,21,12,16,27,4,11,17,18,19,20,3,13,15/rA:27nCCONCCCCCCNCOCSCNNNNCCCCCCF/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;s11;d12;s12;s14;s15;d16;s17;d18;s16s19;s20;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15FN6O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.04
Area:595.602
Solvation:-4.8501
Coulombic:-48.3959
Bond Count [?]
All:29
Single:19
Double:10
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:386.405
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.22
LogP (Chemaxon):2.72

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