Chemical ID: 6244029

Cc1ccc(c2c1nc(s2)NC(=O)c3ccc4c(c3)OCCO4)Cl
Chemical ID:
6244029
Name [?]:
N-(7-chloro-4-methyl-benzothiazol-2-yl)-2,5-dioxabicyclo[4.4.0]deca-7,9,11-triene-8-carboxamide
SMILES [?]:
Cc1ccc(c2c1nc(s2)NC(=O)c3ccc4c(c3)OCCO4)Cl
InChi [?]:
InChI=1/C17H13ClN2O3S/c1-9-2-4-11(18)15-14(9)19-17(24-15)20-16(21)10-3-5-12-13(8-10)23-7-6-22-12/h2-5,8H,6-7H2,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,15,4,16,22,21,19,2,14,5,17,18,7,6,12,9,24,8,11,13,23,20,10/rA:24nCCCCCCCNCSNCOCCCCCCOCCOCl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s6s9;s9;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s20;s21;s17s22;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13ClN2O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.62938
Area:534.833
Solvation:-3.74144
Coulombic:-44.0821
Bond Count [?]
All:27
Single:19
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:360.815
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.37
LogP (Chemaxon):4.44

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