Chemical ID: 5149077

COc1ccc(cc1)n2c(nnn2)SCC(=O)Nc3cc(ccc3Cl)Cl
Chemical ID:
5149077
Name [?]:
N-(2,5-dichlorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-acetamide
SMILES [?]:
COc1ccc(cc1)n2c(nnn2)SCC(=O)Nc3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C16H13Cl2N5O2S/c1-25-12-5-3-11(4-6-12)23-16(20-21-22-23)26-9-15(24)19-14-8-10(17)2-7-13(14)18/h2-8H,9H2,1H3,(H,19,24)
InChi Info:
AuxInfo=1/1/N:1,22,5,7,4,8,23,20,15,21,6,3,24,19,16,10,26,25,18,11,12,13,9,17,2,14/E:(3,4)(5,6)/rA:26nCOCCCCCCNCNNNSCCONCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;s9d12;s10;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13Cl2N5O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.5856
Area:614.781
Solvation:-3.78395
Coulombic:-34.7342
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:410.278
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.97
LogP (Chemaxon):3.38

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