Chemical ID: 5765831

Cc1cc(ccc1Br)NC(=O)CSc2nnnn2c3ccccc3
Chemical ID:
5765831
Name [?]:
N-(4-bromo-3-methyl-phenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-acetamide
SMILES [?]:
Cc1cc(ccc1Br)NC(=O)CSc2nnnn2c3ccccc3
InChi [?]:
InChI=1/C16H14BrN5OS/c1-11-9-12(7-8-14(11)17)18-15(23)10-24-16-19-20-21-22(16)13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,18,23)
InChi Info:
AuxInfo=1/1/N:1,22,21,23,20,24,5,6,3,12,2,4,19,7,10,14,8,9,15,16,17,18,11,13/E:(3,4)(5,6)/rA:24nCCCCCCCBrNCOCSCNNNNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;d10;s10;s12;s13;d14;s15;d16;s14s17;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14BrN5OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.4375
Area:559.447
Solvation:-2.54869
Coulombic:-27.8687
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:404.285
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.83
LogP (Chemaxon):4.51

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Descriptor Annotations

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