Chemical ID: 6283933

CCn1c2ccc(cc2sc1=NC(=O)c3cc(=O)c4ccccc4o3)C
Chemical ID:
6283933
Name [?]:
N-(3-ethyl-6-methyl-benzothiazol-2-ylidene)-4-oxo-chromene-2-carboxamide
SMILES [?]:
CCn1c2ccc(cc2sc1=NC(=O)c3cc(=O)c4ccccc4o3)C
InChi [?]:
InChI=1/C20H16N2O3S/c1-3-22-14-9-8-12(2)10-18(14)26-20(22)21-19(24)17-11-15(23)13-6-4-5-7-16(13)25-17/h4-11H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,2,21,22,20,23,6,5,8,16,7,19,4,17,24,15,9,13,11,12,3,18,14,25,10/rA:26nCCNCCCCCCSCNCOCCCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;w11;s12;d13;s13;d15;s16;d17;s17;s19;d20;s21;d22;d19s23;s15s24;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.912
Area:543.561
Solvation:-2.677
Coulombic:-41.9985
Bond Count [?]
All:29
Single:19
Double:10
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:364.419
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.38
LogP (Chemaxon):5.32

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