Chemical ID: 5406569

CCn1c(nnc1SCC(=O)Nc2ccccc2OC(F)F)c3ccc(cc3)Cl
Chemical ID:
5406569
Name [?]:
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(difluoromethoxy)phenyl]-acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2ccccc2OC(F)F)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H17ClF2N4O2S/c1-2-26-17(12-7-9-13(20)10-8-12)24-25-19(26)29-11-16(27)23-14-5-3-4-6-15(14)28-18(21)22/h3-10,18H,2,11H2,1H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,2,15,16,14,17,24,28,25,27,9,23,26,13,18,10,4,20,7,29,21,22,12,5,6,3,11,19,8/E:(7,8)(9,10)(21,22)/rA:29nCCNCNNCSCCONCCCCCCOCFFCCCCCCCl/rB:s1;s2;s3;d4;s5;s3d6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s20;s20;s4;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17ClF2N4O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.5457
Area:635.714
Solvation:-4.34712
Coulombic:-54.3743
Bond Count [?]
All:31
Single:22
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:438.88
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.2
LogP (Chemaxon):4.76

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Descriptor Annotations

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