Chemical ID: 4790103

Cc1ccc(cc1)c2nnc(n2C)SCC(=O)Nc3ccc(c(c3)F)F
Chemical ID:
4790103
Name [?]:
N-(3,4-difluorophenyl)-2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
Cc1ccc(cc1)c2nnc(n2C)SCC(=O)Nc3ccc(c(c3)F)F
InChi [?]:
InChI=1/C18H16F2N4OS/c1-11-3-5-12(6-4-11)17-22-23-18(24(17)2)26-10-16(25)21-13-7-8-14(19)15(20)9-13/h3-9H,10H2,1-2H3,(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,13,3,7,4,6,20,21,24,15,2,5,19,22,23,16,8,11,26,25,18,9,10,12,17,14/E:(3,4)(5,6)/rA:26nCCCCCCCCNNCNCSCCONCCCCCCFF/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;s12;s11;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16F2N4OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.7781
Area:572.177
Solvation:-4.52632
Coulombic:-40.3582
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:374.409
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.29
LogP (Chemaxon):4.04

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Descriptor Annotations

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