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Chemical ID: 7406645
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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