Chemical ID: 7406645

Cc1ccc2c(c1)sc(n2)NC(=O)c3cc(=O)c4cc(ccc4o3)Cl
Chemical ID:
7406645
Name [?]:
6-chloro-N-(6-methylbenzothiazol-2-yl)-4-oxo-chromene-2-carboxamide
SMILES [?]:
Cc1ccc2c(c1)sc(n2)NC(=O)c3cc(=O)c4cc(ccc4o3)Cl
InChi [?]:
InChI=1/C18H11ClN2O3S/c1-9-2-4-12-16(6-9)25-18(20-12)21-17(23)15-8-13(22)11-7-10(19)3-5-14(11)24-15/h2-8H,1H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,3,21,4,22,7,19,15,2,20,18,5,16,23,14,6,12,9,25,10,11,17,13,24,8/rA:25nCCCCCCCSCNNCOCCCOCCCCCCOCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5d9;s9;s11;d12;s12;d14;s15;d16;s16;s18;d19;s20;d21;d18s22;s14s23;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H11ClN2O3S
All Atoms:36
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.9637
Area:562.392
Solvation:-3.09611
Coulombic:-44.8945
Bond Count [?]
All:28
Single:18
Double:10
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:370.81
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.63
LogP (Chemaxon):5.01

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