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Chemical ID: 5407679
Chemical ID:
5407679
Name [?]:
o-tolylcarbamoylmethyl 2-(4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl)acetate
SMILES [?]:
Cc1ccccc1NC(=O)COC(=O)CN2C(=O)C(NC2=O)(C)C
InChi [?]:
InChI=1/C16H19N3O5/c1-10-6-4-5-7-11(10)17-12(20)9-24-13(21)8-19-14(22)16(2,3)18-15(19)23/h4-7H,8-9H2,1-3H3,(H,17,20)(H,18,23)
InChi Info:
AuxInfo=1/1/N:1,23,24,4,5,3,6,15,11,2,7,9,13,17,21,19,8,20,16,10,14,18,22,12/E:(2,3)/rA:24nCCCCCCCNCOCOCOCNCOCNCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s13;s15;s16;d17;s17;s19;s16s20;d21;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19N3O5 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.86089 |
Area: | 547.347 |
Solvation: | -4.82278 |
Coulombic: | -78.0968 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 333.339 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 0.13 |
LogP (Chemaxon): | 0.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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