Chemical ID: 5112036

c1ccc2c(c1)nc(s2)NC(=O)c3cc4ccc(cc4oc3=O)O
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

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