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Chemical ID: 3961193
Chemical ID:
3961193
Name [?]:
1-(2,4-difluorophenyl)-3-(1-pyrrolidin-1-ylcarbonylcyclohexyl)-urea
SMILES [?]:
c1cc(c(cc1F)F)NC(=O)NC2(CCCCC2)C(=O)N3CCCC3
InChi [?]:
InChI=1/C18H23F2N3O2/c19-13-6-7-15(14(20)12-13)21-17(25)22-18(8-2-1-3-9-18)16(24)23-10-4-5-11-23/h6-7,12H,1-5,8-11H2,(H2,21,22,25)
InChi Info:
AuxInfo=1/1/N:16,15,17,23,24,1,2,14,18,22,25,5,6,4,3,19,10,13,7,8,9,12,21,20,11/E:(2,3)(4,5)(8,9)(10,11)/rA:25nCCCCCCFFNCONCCCCCCCONCCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s13;d19;s19;s21;s22;s23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23F2N3O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.4929 |
Area: | 510.612 |
Solvation: | -4.2724 |
Coulombic: | -58.7044 |
Bond Count [?]
All: | 27 |
Single: | 22 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 351.391 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.64 |
LogP (Chemaxon): | 2.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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