Chemical ID: 7047493

CCOc1ccc2cc(c(=O)oc2c1)C(=O)Nc3nc4c(s3)CCCC4
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

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