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Chemical ID: 7253344
Chemical ID:
7253344
Name [?]:
[4-(trifluoromethyl)phenyl]carbamoylmethyl 2-(4,4-diethyl-2,5-dioxo-imidazolidin-1-yl)acetate
SMILES [?]:
CCC1(C(=O)N(C(=O)N1)CC(=O)OCC(=O)Nc2ccc(cc2)C(F)(F)F)CC
InChi [?]:
InChI=1/C18H20F3N3O5/c1-3-17(4-2)15(27)24(16(28)23-17)9-14(26)29-10-13(25)22-12-7-5-11(6-8-12)18(19,20)21/h5-8H,3-4,9-10H2,1-2H3,(H,22,25)(H,23,28)
InChi Info:
AuxInfo=1/1/N:1,29,2,28,20,22,19,23,10,14,21,18,15,11,4,7,3,24,25,26,27,17,9,6,16,12,5,8,13/E:(1,2)(3,4)(5,6)(7,8)(19,20,21)/rA:29nCCCCONCONCCOOCCONCCCCCCCFFFCC/rB:s1;s2;s3;d4;s4;s6;d7;s3s7;s6;s10;d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;s24;s24;s24;s3;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20F3N3O5 |
All Atoms: | 49 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.58267 |
Area: | 601.466 |
Solvation: | -5.45397 |
Coulombic: | -97.1968 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 415.364 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 1.54 |
LogP (Chemaxon): | 2.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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