Chemical ID: 6285301

CCOc1cccc2c1n(c(=NC(=O)c3ccc(cc3Cl)Cl)s2)C
Chemical ID:
6285301
Name [?]:
2,4-dichloro-N-(4-ethoxy-3-methyl-benzothiazol-2-ylidene)-benzamide
SMILES [?]:
CCOc1cccc2c1n(c(=NC(=O)c3ccc(cc3Cl)Cl)s2)C
InChi [?]:
InChI=1/C17H14Cl2N2O2S/c1-3-23-13-5-4-6-14-15(13)21(2)17(24-14)20-16(22)11-8-7-10(18)9-12(11)19/h4-9H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,2,6,5,7,17,16,19,18,15,20,4,8,9,13,11,22,21,12,10,14,3,23/rA:24nCCOCCCCCCNCNCOCCCCCCClClSC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s18;s8s11;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14Cl2N2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.9525
Area:551.68
Solvation:-2.83954
Coulombic:-33.1185
Bond Count [?]
All:26
Single:18
Double:8
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:381.277
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.43
LogP (Chemaxon):5.75

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