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Chemical ID: 7304152
Chemical ID:
7304152
Name [?]:
N-[(2,4-dichlorophenyl)methyl]-2-(10-methyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-acetamide
SMILES [?]:
CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NCc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C18H21Cl2N3O3/c1-11-4-2-3-7-18(11)16(25)23(17(26)22-18)10-15(24)21-9-12-5-6-13(19)8-14(12)20/h5-6,8,11H,2-4,7,9-10H2,1H3,(H,21,24)(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,20,21,6,23,18,14,2,19,22,24,15,8,11,7,26,25,17,13,10,16,9,12/rA:26cCCCCCCCCONCONCCONCCCCCCCClCl/rB:s1;s2;s3;s4;s5;s2s6;s7;d8;s8;s10;d11;s7s11;s10;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21Cl2N3O3 |
All Atoms: | 47 |
Heavy Atoms: | 26 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.3192 |
Area: | 587.952 |
Solvation: | -3.37955 |
Coulombic: | -62.4888 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 398.283 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.83 |
LogP (Chemaxon): | 2.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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