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Chemical ID: 6312777
Chemical ID:
6312777
Name [?]:
1-[(2-chlorophenyl)methyl]-1-(3-morpholinopropyl)-3-phenyl-urea
SMILES [?]:
c1ccc(cc1)NC(=O)N(CCCN2CCOCC2)Cc3ccccc3Cl
InChi [?]:
InChI=1/C21H26ClN3O2/c22-20-10-5-4-7-18(20)17-25(12-6-11-24-13-15-27-16-14-24)21(26)23-19-8-2-1-3-9-19/h1-5,7-10H,6,11-17H2,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,23,24,12,22,3,5,25,13,11,15,19,16,18,20,21,4,26,8,27,7,14,10,9,17/E:(2,3)(8,9)(13,14)(15,16)/rA:27nCCCCCCNCONCCCNCCOCCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;s10;s20;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H26ClN3O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8375 |
Area: | 623.976 |
Solvation: | -3.76195 |
Coulombic: | -45.9483 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 387.903 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.2 |
LogP (Chemaxon): | 3.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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