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Chemical ID: 6185890
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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