Chemical ID: 3950311

c1cc(ccc1NC(=O)CN2c3ccc(cc3C(=O)C2=O)Br)N4CCOCC4
Chemical ID:
3950311
Name [?]:
2-(5-bromo-2,3-dioxo-indolin-1-yl)-N-(4-morpholinophenyl)-acetamide
SMILES [?]:
c1cc(ccc1NC(=O)CN2c3ccc(cc3C(=O)C2=O)Br)N4CCOCC4
InChi [?]:
InChI=1/C20H18BrN3O4/c21-13-1-6-17-16(11-13)19(26)20(27)24(17)12-18(25)22-14-2-4-15(5-3-14)23-7-9-28-10-8-23/h1-6,11H,7-10,12H2,(H,22,25)
InChi Info:
AuxInfo=1/1/N:14,1,5,2,4,13,24,28,25,27,16,10,15,6,3,17,12,8,18,20,22,7,23,11,9,19,21,26/E:(2,3)(4,5)(7,8)(9,10)/rA:28nCCCCCCNCOCNCCCCCCCOCOBrNCCOCC/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;d18;s11s18;d20;s15;s3;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18BrN3O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.06125
Area:600.091
Solvation:-5.94102
Coulombic:-60.5642
Bond Count [?]
All:31
Single:22
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:444.279
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.07
LogP (Chemaxon):2.68

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