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Chemical ID: 6481424
Chemical ID:
6481424
Name [?]:
1-(1-acetyl-4-piperidyl)-3-(3-chlorophenyl)-1-cyclopropyl-urea
SMILES [?]:
CC(=O)N1CCC(CC1)N(C2CC2)C(=O)Nc3cccc(c3)Cl
InChi [?]:
InChI=1/C17H22ClN3O2/c1-12(22)20-9-7-16(8-10-20)21(15-5-6-15)17(23)19-14-4-2-3-13(18)11-14/h2-4,11,15-16H,5-10H2,1H3,(H,19,23)
InChi Info:
AuxInfo=1/1/N:1,19,20,18,12,13,6,8,5,9,22,2,21,17,11,7,14,23,16,4,10,3,15/E:(5,6)(7,8)(9,10)/rA:23nCCONCCCCCNCCCCONCCCCCCCl/rB:s1;d2;s2;s4;s5;s6;s7;s4s8;s7;s10;s11;s11s12;s10;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22ClN3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4664 |
Area: | 542.029 |
Solvation: | -3.08432 |
Coulombic: | -45.434 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 335.828 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.41 |
LogP (Chemaxon): | 1.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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