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Chemical ID: 6312942
Chemical ID:
6312942
Name [?]:
3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-1-(3-morpholinopropyl)urea
SMILES [?]:
c1cc(ccc1CN(CCCN2CCOCC2)C(=O)Nc3ccc(cc3)Cl)Cl
InChi [?]:
InChI=1/C21H25Cl2N3O2/c22-18-4-2-17(3-5-18)16-26(11-1-10-25-12-14-28-15-13-25)21(27)24-20-8-6-19(23)7-9-20/h2-9H,1,10-16H2,(H,24,27)
InChi Info:
AuxInfo=1/1/N:10,1,5,2,4,23,25,22,26,11,9,13,17,14,16,7,6,3,24,21,18,28,27,20,12,8,19,15/E:(2,3)(4,5)(6,7)(8,9)(12,13)(14,15)/rA:28nCCCCCCCNCCCNCCOCCCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s8;d18;s18;s20;s21;d22;s23;d24;d21s25;s24;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H25Cl2N3O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.7076 |
Area: | 664.737 |
Solvation: | -3.9108 |
Coulombic: | -45.5226 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 422.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.82 |
LogP (Chemaxon): | 4.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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