Chemical ID: 6274101

C=CCn1c2ccccc2sc1=NC(=O)c3cc(=O)c4ccccc4o3
Chemical ID:
6274101
Name [?]:
N-(3-allylbenzothiazol-2-ylidene)-4-oxo-chromene-2-carboxamide
SMILES [?]:
C=CCn1c2ccccc2sc1=NC(=O)c3cc(=O)c4ccccc4o3
InChi [?]:
InChI=1/C20H14N2O3S/c1-2-11-22-14-8-4-6-10-18(14)26-20(22)21-19(24)17-12-15(23)13-7-3-5-9-16(13)25-17/h2-10,12H,1,11H2
InChi Info:
AuxInfo=1/0/N:1,2,22,7,23,8,21,6,24,9,3,17,20,5,18,25,16,10,14,12,13,4,19,15,26,11/rA:26nCCCNCCCCCCSCNCOCCCOCCCCCCO/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s4s11;w12;s13;d14;s14;d16;s17;d18;s18;s20;d21;s22;d23;d20s24;s16s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H14N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.7404
Area:539.44
Solvation:-2.74557
Coulombic:-43.769
Bond Count [?]
All:29
Single:18
Double:11
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:362.403
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.13
LogP (Chemaxon):5.25

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Descriptor Annotations

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