Chemical ID: 5407681

CCOC(=O)c1ccccc1NC(=O)COC(=O)CN2C(=O)C(NC2=O)(C)C
Chemical ID:
5407681
Name [?]:
ethyl 2-[2-[2-(4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl)acetyl]oxyacetyl]aminobenzoate
SMILES [?]:
CCOC(=O)c1ccccc1NC(=O)COC(=O)CN2C(=O)C(NC2=O)(C)C
InChi [?]:
InChI=1/C18H21N3O7/c1-4-27-15(24)11-7-5-6-8-12(11)19-13(22)10-28-14(23)9-21-16(25)18(2,3)20-17(21)26/h5-8H,4,9-10H2,1-3H3,(H,19,22)(H,20,26)
InChi Info:
AuxInfo=1/1/N:1,27,28,2,8,9,7,10,19,15,6,11,13,17,4,21,25,23,12,24,20,14,18,5,22,26,3,16/E:(2,3)/rA:28nCCOCOCCCCCCNCOCOCOCNCOCNCOCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;s12;d13;s13;s15;s16;d17;s17;s19;s20;d21;s21;s23;s20s24;d25;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21N3O7
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.4175
Area:624.612
Solvation:-5.19777
Coulombic:-98.0842
Bond Count [?]
All:29
Single:21
Double:8
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:391.375
H-Bond Donors:2
H-Bond Acceptors:10
XLogP:0.69
LogP (Chemaxon):0.83

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