Chemical ID: 6158217

CC(C)C(=O)Nc1cccc(c1)C(=O)Nc2nc3c(s2)CCCC3
Chemical ID:
6158217
Name [?]:
3-(2-methylpropanoylamino)-N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)benzamide
SMILES [?]:
CC(C)C(=O)Nc1cccc(c1)C(=O)Nc2nc3c(s2)CCCC3
InChi [?]:
InChI=1/C18H21N3O2S/c1-11(2)16(22)19-13-7-5-6-12(10-13)17(23)21-18-20-14-8-3-4-9-15(14)24-18/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,19,22)(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,3,23,22,9,10,8,24,21,12,2,11,7,18,19,4,13,16,6,17,15,5,14,20/E:(1,2)/rA:24nCCCCONCCCCCCCONCNCCSCCCC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;d13;s13;s15;d16;s17;d18;s16s19;s19;s21;s22;s18s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21N3O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.1076
Area:554.586
Solvation:-3.757
Coulombic:-46.3278
Bond Count [?]
All:26
Single:19
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:343.444
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.93
LogP (Chemaxon):3.64

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