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Chemical ID: 6283933
Chemical ID:
6283933
Name [?]:
N-(3-ethyl-6-methyl-benzothiazol-2-ylidene)-4-oxo-chromene-2-carboxamide
SMILES [?]:
CCn1c2ccc(cc2sc1=NC(=O)c3cc(=O)c4ccccc4o3)C
InChi [?]:
InChI=1/C20H16N2O3S/c1-3-22-14-9-8-12(2)10-18(14)26-20(22)21-19(24)17-11-15(23)13-6-4-5-7-16(13)25-17/h4-11H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,2,21,22,20,23,6,5,8,16,7,19,4,17,24,15,9,13,11,12,3,18,14,25,10/rA:26nCCNCCCCCCSCNCOCCCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;w11;s12;d13;s13;d15;s16;d17;s17;s19;d20;s21;d22;d19s23;s15s24;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16N2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.912 |
Area: | 543.561 |
Solvation: | -2.677 |
Coulombic: | -41.9985 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 364.419 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.38 |
LogP (Chemaxon): | 5.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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