Chemical ID: 6185890

CSc1nnc(s1)NC(=O)c2cc3ccccc3oc2=O
Chemical ID:
6185890
Name [?]:
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-oxo-chromene-3-carboxamide
SMILES [?]:
CSc1nnc(s1)NC(=O)c2cc3ccccc3oc2=O
InChi [?]:
InChI=1/C13H9N3O3S2/c1-20-13-16-15-12(21-13)14-10(17)8-6-7-4-2-3-5-9(7)19-11(8)18/h2-6H,1H3,(H,14,15,17)
InChi Info:
AuxInfo=1/1/N:1,15,16,14,17,12,13,11,18,9,20,6,3,8,5,4,10,21,19,2,7/rA:21nCSCNNCSNCOCCCCCCCCOCO/rB:s1;s2;d3;s4;d5;s3s6;s6;s8;d9;s9;d11;s12;s13;d14;s15;d16;d13s17;s18;s11s19;d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9N3O3S2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.97249
Area:499.858
Solvation:-4.52397
Coulombic:-43.8491
Bond Count [?]
All:23
Single:15
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:319.361
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.69
LogP (Chemaxon):2.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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