Chemical ID: 6275950

C#CCn1c2ccc(cc2sc1=NC(=O)c3cc4ccccc4oc3=O)Cl
Chemical ID:
6275950
Name [?]:
N-(6-chloro-3-prop-2-ynyl-benzothiazol-2-ylidene)-2-oxo-chromene-3-carboxamide
SMILES [?]:
C#CCn1c2ccc(cc2sc1=NC(=O)c3cc4ccccc4oc3=O)Cl
InChi [?]:
InChI=1/C20H11ClN2O3S/c1-2-9-23-15-8-7-13(21)11-17(15)27-20(23)22-18(24)14-10-12-5-3-4-6-16(12)26-19(14)25/h1,3-8,10-11H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,20,21,19,22,7,6,3,17,9,18,8,16,5,23,10,14,25,12,27,13,4,15,26,24,11/rA:27nCCCNCCCCCCSCNCOCCCCCCCCOCOCl/rB:t1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s4s11;w12;s13;d14;s14;d16;s17;s18;d19;s20;d21;d18s22;s23;s16s24;d25;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H11ClN2O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.1487
Area:566.351
Solvation:-4.01006
Coulombic:-44.1073
Bond Count [?]
All:30
Single:19
Double:10
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:394.832
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.41
LogP (Chemaxon):5.48

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue