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Chemical ID: 7399602
Chemical ID:
7399602
Name [?]:
3-phenyl-1-(1,5,5-trimethyl-2-oxo-3-phenyl-imidazolidin-4-yl)-urea
SMILES [?]:
CC1(C(N(C(=O)N1C)c2ccccc2)NC(=O)Nc3ccccc3)C
InChi [?]:
InChI=1/C19H22N4O2/c1-19(2)16(21-17(24)20-14-10-6-4-7-11-14)23(18(25)22(19)3)15-12-8-5-9-13-15/h4-13,16H,1-3H3,(H2,20,21,24)
InChi Info:
AuxInfo=1/1/N:1,25,8,22,12,21,23,11,13,20,24,10,14,19,9,3,16,5,2,18,15,7,4,17,6/E:(1,2)(6,7)(8,9)(10,11)(12,13)/rA:25cCCCNCONCCCCCCCNCONCCCCCCC/rB:s1;s2;s3;s4;d5;s2s5;s7;s4;s9;d10;s11;d12;d9s13;s3;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N4O2 |
All Atoms: | 47 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.6466 |
Area: | 530.534 |
Solvation: | -2.61679 |
Coulombic: | -62.8122 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 338.404 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.75 |
LogP (Chemaxon): | 3.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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