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Chemical ID: 6672438
Chemical ID:
6672438
Name [?]:
1,1-dicyclohexyl-3-(4-fluorophenyl)-urea
SMILES [?]:
c1cc(ccc1NC(=O)N(C2CCCCC2)C3CCCCC3)F
InChi [?]:
InChI=1/C19H27FN2O/c20-15-11-13-16(14-12-15)21-19(23)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h11-14,17-18H,1-10H2,(H,21,23)
InChi Info:
AuxInfo=1/1/N:14,20,13,15,19,21,12,16,18,22,2,4,1,5,3,6,11,17,8,23,7,10,9/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18)/rA:23nCCCCCCNCONCCCCCCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s10;s17;s18;s19;s20;s17s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H27FN2O |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5301 |
Area: | 502.326 |
Solvation: | -2.02808 |
Coulombic: | -36.2565 |
Bond Count [?]
All: | 25 |
Single: | 21 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 318.429 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.88 |
LogP (Chemaxon): | 4.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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