Chemical ID: 6003269

Cc1csc(n1)NC(=O)CN(CCN(C)C)C(=O)c2ccccc2F
Chemical ID:
6003269
Name [?]:
N-(2-dimethylaminoethyl)-2-fluoro-N-[(4-methylthiazol-2-yl)carbamoylmethyl]benzamide
SMILES [?]:
Cc1csc(n1)NC(=O)CN(CCN(C)C)C(=O)c2ccccc2F
InChi [?]:
InChI=1/C17H21FN4O2S/c1-12-11-25-17(19-12)20-15(23)10-22(9-8-21(2)3)16(24)13-6-4-5-7-14(13)18/h4-7,11H,8-10H2,1-3H3,(H,19,20,23)
InChi Info:
AuxInfo=1/1/N:1,15,16,21,22,20,23,13,12,10,3,2,19,24,8,17,5,25,6,7,14,11,9,18,4/E:(2,3)/rA:25nCCCSCNNCOCNCCNCCCOCCCCCCF/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s14;s11;d17;s17;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21FN4O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.73028
Area:569.39
Solvation:-5.50446
Coulombic:-50.0378
Bond Count [?]
All:26
Single:19
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:364.439
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.44
LogP (Chemaxon):1.56

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