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Chemical ID: 5112036
Chemical ID:
5112036
Name [?]:
N-benzothiazol-2-yl-7-hydroxy-2-oxo-chromene-3-carboxamide
SMILES [?]:
c1ccc2c(c1)nc(s2)NC(=O)c3cc4ccc(cc4oc3=O)O
InChi [?]:
InChI=1/C17H10N2O4S/c20-10-6-5-9-7-11(16(22)23-13(9)8-10)15(21)19-17-18-12-3-1-2-4-14(12)24-17/h1-8,20H,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,16,17,14,19,15,18,13,5,20,4,11,22,8,7,10,24,12,23,21,9/rA:24nCCCCCCNCSNCOCCCCCCCCOCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;d11;s11;d13;s14;s15;d16;s17;d18;d15s19;s20;s13s21;d22;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H10N2O4S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.8975 |
Area: | 516.715 |
Solvation: | -5.02037 |
Coulombic: | -60.6208 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 338.338 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.17 |
LogP (Chemaxon): | 3.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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