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Chemical ID: 6274101
Chemical ID:
6274101
Name [?]:
N-(3-allylbenzothiazol-2-ylidene)-4-oxo-chromene-2-carboxamide
SMILES [?]:
C=CCn1c2ccccc2sc1=NC(=O)c3cc(=O)c4ccccc4o3
InChi [?]:
InChI=1/C20H14N2O3S/c1-2-11-22-14-8-4-6-10-18(14)26-20(22)21-19(24)17-12-15(23)13-7-3-5-9-16(13)25-17/h2-10,12H,1,11H2
InChi Info:
AuxInfo=1/0/N:1,2,22,7,23,8,21,6,24,9,3,17,20,5,18,25,16,10,14,12,13,4,19,15,26,11/rA:26nCCCNCCCCCCSCNCOCCCOCCCCCCO/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s4s11;w12;s13;d14;s14;d16;s17;d18;s18;s20;d21;s22;d23;d20s24;s16s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H14N2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7404 |
Area: | 539.44 |
Solvation: | -2.74557 |
Coulombic: | -43.769 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 362.403 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.13 |
LogP (Chemaxon): | 5.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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