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Chemical ID: 5464723
Chemical ID:
5464723
Name [?]:
N-(4-chlorophenyl)-2-(1,3-dioxo-2,4-diazaspiro[4.5]dec-2-yl)-acetamide
SMILES [?]:
c1cc(ccc1NC(=O)CN2C(=O)C3(CCCCC3)NC2=O)Cl
InChi [?]:
InChI=1/C16H18ClN3O3/c17-11-4-6-12(7-5-11)18-13(21)10-20-14(22)16(19-15(20)23)8-2-1-3-9-16/h4-7H,1-3,8-10H2,(H,18,21)(H,19,23)
InChi Info:
AuxInfo=1/1/N:17,16,18,2,4,1,5,15,19,10,3,6,8,12,21,14,23,7,20,11,9,13,22/E:(2,3)(4,5)(6,7)(8,9)/rA:23nCCCCCCNCOCNCOCCCCCCNCOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;d12;s12;s14;s15;s16;s17;s14s18;s14;s11s20;d21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18ClN3O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.6388 |
Area: | 521.534 |
Solvation: | -3.39956 |
Coulombic: | -60.6758 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 335.785 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.77 |
LogP (Chemaxon): | 2.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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