Chemical ID: 6006855

COc1ccc(cc1)NC(=O)CNC(=O)CN(CC2CC2)C(=O)c3ccc(cc3)F
Chemical ID:
6006855
Name [?]:
N-(cyclopropylmethyl)-4-fluoro-N-[(4-methoxyphenyl)carbamoylmethylcarbamoylmethyl]benzamide
SMILES [?]:
COc1ccc(cc1)NC(=O)CNC(=O)CN(CC2CC2)C(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C22H24FN3O4/c1-30-19-10-8-18(9-11-19)25-20(27)12-24-21(28)14-26(13-15-2-3-15)22(29)16-4-6-17(23)7-5-16/h4-11,15H,2-3,12-14H2,1H3,(H,24,28)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,20,21,25,29,26,28,5,7,4,8,12,18,16,19,24,27,6,3,10,14,22,30,13,9,17,11,15,23,2/E:(2,3)(4,5)(6,7)(8,9)(10,11)/rA:30nCOCCCCCCNCOCNCOCNCCCCCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s14;s16;s17;s18;s19;s19s20;s17;d22;s22;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24FN3O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.84227
Area:650.993
Solvation:-6.43255
Coulombic:-68.9569
Bond Count [?]
All:32
Single:23
Double:9
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:413.442
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.29
LogP (Chemaxon):1.79

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