Chemical ID: 6293851

Cc1cc(nc(n1)SCC(=O)Nc2ccccc2Br)c3ccccc3
Chemical ID:
6293851
Name [?]:
N-(2-bromophenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
SMILES [?]:
Cc1cc(nc(n1)SCC(=O)Nc2ccccc2Br)c3ccccc3
InChi [?]:
InChI=1/C19H16BrN3OS/c1-13-11-17(14-7-3-2-4-8-14)23-19(21-13)25-12-18(24)22-16-10-6-5-9-15(16)20/h2-11H,12H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,16,15,21,25,17,14,3,9,2,20,18,13,4,10,6,19,7,12,5,11,8/E:(3,4)(7,8)/rA:25nCCCCNCNSCCONCCCCCCBrCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s4;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16BrN3OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.8305
Area:586.778
Solvation:-2.83895
Coulombic:-33.9682
Bond Count [?]
All:27
Single:17
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:414.32
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.17
LogP (Chemaxon):4.4

Name Annotations

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Descriptor Annotations

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