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Chemical ID: 7253447
Chemical ID:
7253447
Name [?]:
N-(3,4-dichlorophenyl)-2-(4-heptyl-4-methyl-2,5-dioxo-imidazolidin-1-yl)-acetamide
SMILES [?]:
CCCCCCCC1(C(=O)N(C(=O)N1)CC(=O)Nc2ccc(c(c2)Cl)Cl)C
InChi [?]:
InChI=1/C19H25Cl2N3O3/c1-3-4-5-6-7-10-19(2)17(26)24(18(27)23-19)12-16(25)22-13-8-9-14(20)15(21)11-13/h8-9,11H,3-7,10,12H2,1-2H3,(H,22,25)(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,27,2,3,4,5,6,20,21,7,24,15,19,22,23,16,9,12,8,26,25,18,14,11,17,10,13/rA:27cCCCCCCCCCONCONCCONCCCCCCClClC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;d12;s8s12;s11;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;s22;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25Cl2N3O3 |
All Atoms: | 52 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.9533 |
Area: | 660.249 |
Solvation: | -3.55295 |
Coulombic: | -61.826 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 414.326 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.64 |
LogP (Chemaxon): | 4.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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