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Chemical ID: 7047493
Chemical ID:
7047493
Name [?]:
7-ethoxy-2-oxo-N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)chromene-3-carboxamide
SMILES [?]:
CCOc1ccc2cc(c(=O)oc2c1)C(=O)Nc3nc4c(s3)CCCC4
InChi [?]:
InChI=1/C19H18N2O4S/c1-2-24-12-8-7-11-9-13(18(23)25-15(11)10-12)17(22)21-19-20-14-5-3-4-6-16(14)26-19/h7-10H,2-6H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,25,24,26,23,6,5,8,14,7,4,9,20,13,21,15,10,18,19,17,16,11,3,12,22/rA:26nCCOCCCCCCCOOCCCONCNCCSCCCC/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;s10;d7s12;d4s13;s9;d15;s15;s17;d18;s19;d20;s18s21;s21;s23;s24;s20s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O4S |
All Atoms: | 44 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.53179 |
Area: | 574.331 |
Solvation: | -5.82649 |
Coulombic: | -50.0096 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 370.423 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.14 |
LogP (Chemaxon): | 3.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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