Chemical ID: 6007054

Cc1cnc(s1)NC(=O)CN(C(C)C)C(=O)c2c(cccc2OC)OC
Chemical ID:
6007054
Name [?]:
N-isopropyl-2,6-dimethoxy-N-[(5-methylthiazol-2-yl)carbamoylmethyl]benzamide
SMILES [?]:
Cc1cnc(s1)NC(=O)CN(C(C)C)C(=O)c2c(cccc2OC)OC
InChi [?]:
InChI=1/C18H23N3O4S/c1-11(2)21(10-15(22)20-18-19-9-12(3)26-18)17(23)16-13(24-4)7-6-8-14(16)25-5/h6-9,11H,10H2,1-5H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:13,14,1,24,26,20,21,19,3,10,12,2,22,18,8,17,15,5,4,7,11,9,16,23,25,6/E:(1,2)(4,5)(7,8)(13,14)(24,25)/rA:26nCCCNCSNCOCNCCCCOCCCCCCOCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;s12;s11;d15;s15;s17;d18;s19;d20;d17s21;s22;s23;s18;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23N3O4S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:6.72718
Area:561.177
Solvation:-7.30225
Coulombic:-54.5068
Bond Count [?]
All:27
Single:20
Double:7
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:377.459
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.44
LogP (Chemaxon):1.78

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