Chemical ID: 7301857

Cc1ccc(c(c1)C)n2c(nnn2)SCC(=O)Nc3ccc(cc3OC)OC
Chemical ID:
7301857
Name [?]:
N-(2,4-dimethoxyphenyl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide
SMILES [?]:
Cc1ccc(c(c1)C)n2c(nnn2)SCC(=O)Nc3ccc(cc3OC)OC
InChi [?]:
InChI=1/C19H21N5O3S/c1-12-5-8-16(13(2)9-12)24-19(21-22-23-24)28-11-18(25)20-15-7-6-14(26-3)10-17(15)27-4/h5-10H,11H2,1-4H3,(H,20,25)
InChi Info:
AuxInfo=1/1/N:1,8,28,26,3,21,20,4,7,23,15,2,6,22,19,5,24,16,10,18,11,12,13,9,17,27,25,14/rA:28nCCCCCCCCNCNNNSCCONCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s9d12;s10;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;s25;s22;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21N5O3S
All Atoms:49
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.0378
Area:622.558
Solvation:-4.52616
Coulombic:-41.6483
Bond Count [?]
All:30
Single:21
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:399.468
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.3
LogP (Chemaxon):3.68

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