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Chemical ID: 6656208
Chemical ID:
6656208
Name [?]:
3-(4-isopropylphenyl)-1-(p-tolyl)urea
SMILES [?]:
Cc1ccc(cc1)NC(=O)Nc2ccc(cc2)C(C)C
InChi [?]:
InChI=1/C17H20N2O/c1-12(2)14-6-10-16(11-7-14)19-17(20)18-15-8-4-13(3)5-9-15/h4-12H,1-3H3,(H2,18,19,20)
InChi Info:
AuxInfo=1/1/N:19,20,1,3,7,14,16,4,6,13,17,18,2,15,5,12,9,8,11,10/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:20nCCCCCCCNCONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20N2O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2426 |
Area: | 483.218 |
Solvation: | -1.83786 |
Coulombic: | -36.3098 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 268.354 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.32 |
LogP (Chemaxon): | 5.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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