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Chemical ID: 5577889
Chemical ID:
5577889
Name [?]:
N-(3,4-dichlorophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-acetamide
SMILES [?]:
CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)Nc3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C17H19Cl2N3O3/c1-10-4-6-17(7-5-10)15(24)22(16(25)21-17)9-14(23)20-11-2-3-12(18)13(19)8-11/h2-3,8,10H,4-7,9H2,1H3,(H,20,23)(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,19,20,3,7,4,6,23,14,2,18,21,22,15,8,11,5,25,24,17,13,10,16,9,12/E:(4,5)(6,7)/rA:25nCCCCCCCCONCONCCONCCCCCCClCl/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;d11;s5s11;s10;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19Cl2N3O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7982 |
Area: | 570.296 |
Solvation: | -3.45924 |
Coulombic: | -60.9508 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 384.257 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.89 |
LogP (Chemaxon): | 2.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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