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Chemical ID: 7406625
Chemical ID:
7406625
Name [?]:
1-(4-chlorophenyl)-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)Cl)O
InChi [?]:
InChI=1/C18H12ClN3O4S/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:27cCCCCCCCNNCOSCCCONCOCCCCCCClO/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: | C18H12ClN3O4S |
All Atoms: | 39 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.95736 |
Area: | 588.878 |
Solvation: | -4.7646 |
Coulombic: | -54.6066 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 401.824 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.84 |
LogP (Chemaxon): | 3.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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