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Chemical ID: 5407681
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
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Experimental Annotations
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Descriptor Annotations
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