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Chemical ID: 6270635
Chemical ID:
6270635
Name [?]:
N-[3-(2-methoxyethyl)benzothiazol-2-ylidene]-4-oxo-chromene-3-carboxamide
SMILES [?]:
COCCn1c2ccccc2sc1=NC(=O)c3coc4ccccc4c3=O
InChi [?]:
InChI=1/C20H16N2O4S/c1-25-11-10-22-15-7-3-5-9-17(15)27-20(22)21-19(24)14-12-26-16-8-4-2-6-13(16)18(14)23/h2-9,12H,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,8,22,9,24,7,21,10,4,3,18,25,17,6,20,11,26,15,13,14,5,27,16,2,19,12/rA:27nCOCCNCCCCCCSCNCOCCOCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s5s12;w13;s14;d15;s15;d17;s18;s19;s20;d21;s22;d23;d20s24;s17s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16N2O4S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.03 |
Area: | 545.653 |
Solvation: | -4.61133 |
Coulombic: | -47.2156 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 380.418 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.23 |
LogP (Chemaxon): | 4.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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