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Chemical ID: 5999866
Chemical ID:
5999866
Name [?]:
3-benzyl-1-[[3-(4-chlorophenyl)-4-oxo-imidazolidin-1-yl]carbonylmethyl]-1-cyclopropyl-urea
SMILES [?]:
c1ccc(cc1)CNC(=O)N(CC(=O)N2CC(=O)N(C2)c3ccc(cc3)Cl)C4CC4
InChi [?]:
InChI=1/C22H23ClN4O3/c23-17-6-8-19(9-7-17)27-15-25(13-21(27)29)20(28)14-26(18-10-11-18)22(30)24-12-16-4-2-1-3-5-16/h1-9,18H,10-15H2,(H,24,30)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,23,25,22,26,29,30,7,16,12,20,4,24,28,21,13,17,9,27,8,15,11,19,14,18,10/E:(2,3)(4,5)(6,7)(8,9)(10,11)/rA:30nCCCCCCCNCONCCONCCONCCCCCCCClCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s13;s15;s16;d17;s17;s15s19;s19;s21;d22;s23;d24;d21s25;s24;s11;s28;s28s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23ClN4O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4044 |
Area: | 671.239 |
Solvation: | -4.3766 |
Coulombic: | -64.3479 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 426.896 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.49 |
LogP (Chemaxon): | 2.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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