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Chemical ID: 7329165
Chemical ID:
7329165
Name [?]:
1-(3-diethylaminopropyl)-3-(2,4-difluorophenyl)-urea
SMILES [?]:
CCN(CC)CCCNC(=O)Nc1ccc(cc1F)F
InChi [?]:
InChI=1/C14H21F2N3O/c1-3-19(4-2)9-5-8-17-14(20)18-13-7-6-11(15)10-12(13)16/h6-7,10H,3-5,8-9H2,1-2H3,(H2,17,18,20)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,7,15,14,8,6,17,16,18,13,10,20,19,9,12,3,11/E:(1,2)(3,4)/rA:20nCCNCCCCCNCONCCCCCCFF/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21F2N3O |
All Atoms: | 41 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.16762 |
Area: | 498.056 |
Solvation: | -3.28378 |
Coulombic: | -46.7409 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 285.333 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.3 |
LogP (Chemaxon): | 1.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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