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Chemical ID: 7029246
Chemical ID:
7029246
Name [?]:
N-(2-chlorophenyl)-2-(7,9-dioxo-8-azaspiro[4.5]dec-8-yl)-acetamide
SMILES [?]:
c1ccc(c(c1)NC(=O)CN2C(=O)CC3(CCCC3)CC2=O)Cl
InChi [?]:
InChI=1/C17H19ClN2O3/c18-12-5-1-2-6-13(12)19-14(21)11-20-15(22)9-17(10-16(20)23)7-3-4-8-17/h1-2,5-6H,3-4,7-11H2,(H,19,21)
InChi Info:
AuxInfo=1/1/N:2,1,17,18,3,6,16,19,14,20,10,4,5,8,12,21,15,23,7,11,9,13,22/E:(3,4)(7,8)(9,10)(15,16)(22,23)/rA:23nCCCCCCNCOCNCOCCCCCCCCOCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;d12;s12;s14;s15;s16;s17;s15s18;s15;s11s20;d21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19ClN2O3 |
All Atoms: | 42 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.18805 |
Area: | 508.421 |
Solvation: | -3.52247 |
Coulombic: | -45.2321 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 334.797 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.8 |
LogP (Chemaxon): | 1.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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