Chemical ID: 6269164

CN(C)c1ccc(cc1)C(=O)Nc2nc(cs2)c3ccc4c(c3)OCCO4
Chemical ID:
6269164
Name [?]:
4-dimethylamino-N-[4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)thiazol-2-yl]-benzamide
SMILES [?]:
CN(C)c1ccc(cc1)C(=O)Nc2nc(cs2)c3ccc4c(c3)OCCO4
InChi [?]:
InChI=1/C20H19N3O3S/c1-23(2)15-6-3-13(4-7-15)19(24)22-20-21-16(12-27-20)14-5-8-17-18(11-14)26-10-9-25-17/h3-8,11-12H,9-10H2,1-2H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,6,8,19,5,9,20,26,25,23,16,7,18,4,15,21,22,10,13,14,12,2,11,27,24,17/E:(1,2)(3,4)(6,7)/rA:27nCNCCCCCCCCONCNCCSCCCCCCOCCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s22;s24;s25;s21s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19N3O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.448
Area:597.142
Solvation:-4.48051
Coulombic:-49.9934
Bond Count [?]
All:30
Single:21
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:381.449
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.66
LogP (Chemaxon):4.03

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