Chemical ID: 7221233

c1ccc(cc1)NC(=O)CSc2nccc(n2)c3ccc(cc3)Br
Chemical ID:
7221233
Name [?]:
2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl-N-phenyl-acetamide
SMILES [?]:
c1ccc(cc1)NC(=O)CSc2nccc(n2)c3ccc(cc3)Br
InChi [?]:
InChI=1/C18H14BrN3OS/c19-14-8-6-13(7-9-14)16-10-11-20-18(22-16)24-12-17(23)21-15-4-2-1-3-5-15/h1-11H,12H2,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,19,23,20,22,15,14,10,18,21,4,16,8,12,24,13,7,17,9,11/E:(2,3)(4,5)(6,7)(8,9)/rA:24nCCCCCCNCOCSCNCCCNCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14BrN3OS
All Atoms:38
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.132
Area:572.077
Solvation:-3.16992
Coulombic:-33.4463
Bond Count [?]
All:26
Single:16
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:400.293
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.86
LogP (Chemaxon):4.88

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