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Chemical ID: 6264098
Chemical ID:
6264098
Name [?]:
N-(5-acetyl-4-methyl-thiazol-2-yl)-2,5-dioxabicyclo[4.4.0]deca-7,9,11-triene-8-carboxamide
SMILES [?]:
Cc1c(sc(n1)NC(=O)c2ccc3c(c2)OCCO3)C(=O)C
InChi [?]:
InChI=1/C15H14N2O4S/c1-8-13(9(2)18)22-15(16-8)17-14(19)10-3-4-11-12(7-10)21-6-5-20-11/h3-4,7H,5-6H2,1-2H3,(H,16,17,19)
InChi Info:
AuxInfo=1/1/N:1,22,11,12,18,17,15,2,20,10,13,14,3,8,5,6,7,21,9,19,16,4/rA:22nCCCSCNNCOCCCCCCOCCOCOC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;s16;s17;s13s18;s3;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14N2O4S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.45896 |
Area: | 499.561 |
Solvation: | -5.03006 |
Coulombic: | -48.5328 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 318.349 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.16 |
LogP (Chemaxon): | 0.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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