Chemical ID: 6602835

Cc1cccc(c1NC(=O)CSc2nnnn2c3ccccc3)C(C)C
Chemical ID:
6602835
Name [?]:
N-(2-isopropyl-6-methyl-phenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-acetamide
SMILES [?]:
Cc1cccc(c1NC(=O)CSc2nnnn2c3ccccc3)C(C)C
InChi [?]:
InChI=1/C19H21N5OS/c1-13(2)16-11-7-8-14(3)18(16)20-17(25)12-26-19-21-22-23-24(19)15-9-5-4-6-10-15/h4-11,13H,12H2,1-3H3,(H,20,25)
InChi Info:
AuxInfo=1/1/N:25,26,1,21,20,22,4,3,19,23,5,11,24,2,18,6,9,7,13,8,14,15,16,17,10,12/E:(1,2)(5,6)(9,10)/rA:26nCCCCCCCNCOCSCNNNNCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;s13s16;s17;s18;d19;s20;d21;d18s22;s6;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21N5OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.9356
Area:586.215
Solvation:-2.71972
Coulombic:-28.4562
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:367.469
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.23
LogP (Chemaxon):3.61

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Descriptor Annotations

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