Chemical ID: 7372708

Cc1ccc(c(c1)n2c(nnn2)SCC(=O)Nc3ccc4ccccc4c3)OC
Chemical ID:
7372708
Name [?]:
2-[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]sulfanyl-N-(2-naphthyl)acetamide
SMILES [?]:
Cc1ccc(c(c1)n2c(nnn2)SCC(=O)Nc3ccc4ccccc4c3)OC
InChi [?]:
InChI=1/C21H19N5O2S/c1-14-7-10-19(28-2)18(11-14)26-21(23-24-25-26)29-13-20(27)22-17-9-8-15-5-3-4-6-16(15)12-17/h3-12H,13H2,1-2H3,(H,22,27)
InChi Info:
AuxInfo=1/1/N:1,29,23,24,22,25,3,20,19,4,7,27,14,2,21,26,18,6,5,15,9,17,10,11,12,8,16,28,13/rA:29nCCCCCCCNCNNNSCCONCCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s8d11;s9;s13;s14;d15;s15;s17;s18;d19;s20;s21;d22;s23;d24;d21s25;d18s26;s5;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19N5O2S
All Atoms:48
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.2437
Area:628.886
Solvation:-4.47849
Coulombic:-34.9639
Bond Count [?]
All:32
Single:21
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:405.474
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.42
LogP (Chemaxon):4.47

Name Annotations

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Descriptor Annotations

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