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Chemical ID: 6656210
Chemical ID:
6656210
Name [?]:
1,3-bis(4-isopropylphenyl)urea
SMILES [?]:
CC(C)c1ccc(cc1)NC(=O)Nc2ccc(cc2)C(C)C
InChi [?]:
InChI=1/C19H24N2O/c1-13(2)15-5-9-17(10-6-15)20-19(22)21-18-11-7-16(8-12-18)14(3)4/h5-14H,1-4H3,(H2,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,21,22,5,9,16,18,6,8,15,19,2,20,4,17,7,14,11,10,13,12/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(17,18)(20,21)/rA:22nCCCCCCCCCNCONCCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N2O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3784 |
Area: | 528.196 |
Solvation: | -1.82652 |
Coulombic: | -36.955 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 296.407 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 5.29 |
LogP (Chemaxon): | 5.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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