Chemical ID: 6762562

c1ccc(c(c1)c2nnc(o2)SC3CC(=O)N(C3=O)c4ccc(cc4)Br)O
Chemical ID:
6762562
Name [?]:
1-(4-bromophenyl)-3-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyrrolidine-2,5-dione
SMILES [?]:
c1ccc(c(c1)c2nnc(o2)SC3CC(=O)N(C3=O)c4ccc(cc4)Br)O
InChi [?]:
InChI=1/C18H12BrN3O4S/c19-10-5-7-11(8-6-10)22-15(24)9-14(17(22)25)27-18-21-20-16(26-18)12-3-1-2-4-13(12)23/h1-8,14,23H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,22,24,21,25,14,23,20,5,4,13,15,7,18,10,26,8,9,17,27,16,19,11,12/E:(5,6)(7,8)/rA:27cCCCCCCCNNCOSCCCONCOCCCCCCBrO/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s10;s12;s13;s14;d15;s15;s13s17;d18;s17;s20;d21;s22;d23;d20s24;s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12BrN3O4S
All Atoms:39
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:9.77729
Area:586.316
Solvation:-4.8806
Coulombic:-54.214
Bond Count [?]
All:30
Single:20
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:446.276
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.01
LogP (Chemaxon):3.34

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Descriptor Annotations

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