Chemical ID: 6877543

COc1ccc(cc1)c2csc(n2)NC(=O)C=Cc3ccc(cc3)Cl
Chemical ID:
6877543
Name [?]:
3-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)thiazol-2-yl]-prop-2-enamide
SMILES [?]:
COc1ccc(cc1)c2csc(n2)NC(=O)C=Cc3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H15ClN2O2S/c1-24-16-9-5-14(6-10-16)17-12-25-19(21-17)22-18(23)11-4-13-2-7-15(20)8-3-13/h2-12H,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,20,24,18,5,7,21,23,4,8,17,10,19,6,22,3,9,15,12,25,13,14,16,2,11/E:(2,3)(5,6)(7,8)(9,10)/rA:25nCOCCCCCCCCSCNNCOCCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s15;w17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15ClN2O2S
All Atoms:40
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.3215
Area:574.278
Solvation:-4.03545
Coulombic:-35.8781
Bond Count [?]
All:27
Single:17
Double:10
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:370.853
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.64
LogP (Chemaxon):5.3

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