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Chemical ID: 6664545
Chemical ID:
6664545
Name [?]:
1-butyl-3-(2,4-dimethylphenyl)-1-phenyl-urea
SMILES [?]:
CCCCN(c1ccccc1)C(=O)Nc2ccc(cc2C)C
InChi [?]:
InChI=1/C19H24N2O/c1-4-5-13-21(17-9-7-6-8-10-17)19(22)20-18-12-11-15(2)14-16(18)3/h6-12,14H,4-5,13H2,1-3H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,22,21,2,3,9,8,10,7,11,17,16,4,19,18,20,6,15,12,14,5,13/E:(7,8)(9,10)/rA:22nCCCCNCCCCCCCONCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s5;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N2O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4812 |
Area: | 521.945 |
Solvation: | -1.56744 |
Coulombic: | -32.9579 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 296.407 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.64 |
LogP (Chemaxon): | 4.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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