Chemical ID: 7324974

Cc1ccc(cc1C)c2nnc(o2)SCC(=O)c3ccc4c(c3)OCCO4
Chemical ID:
7324974
Name [?]:
2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)ethanone
SMILES [?]:
Cc1ccc(cc1C)c2nnc(o2)SCC(=O)c3ccc4c(c3)OCCO4
InChi [?]:
InChI=1/C20H18N2O4S/c1-12-3-4-15(9-13(12)2)19-21-22-20(26-19)27-11-16(23)14-5-6-17-18(10-14)25-8-7-24-17/h3-6,9-10H,7-8,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,3,4,19,20,26,25,6,23,15,2,7,18,5,16,21,22,9,12,10,11,17,27,24,13,14/rA:27nCCCCCCCCCNNCOSCCOCCCCCCOCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;d11;s9s12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s22;s24;s25;s21s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N2O4S
All Atoms:45
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.7153
Area:603.065
Solvation:-4.36131
Coulombic:-39.7593
Bond Count [?]
All:30
Single:21
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:382.434
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.2
LogP (Chemaxon):3.46

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Descriptor Annotations

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