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Chemical ID: 5582620
Chemical ID:
5582620
Name [?]:
N-(3-chlorophenyl)-2-(1,3-dioxo-2,4-diazaspiro[4.6]undec-2-yl)-acetamide
SMILES [?]:
c1cc(cc(c1)Cl)NC(=O)CN2C(=O)C3(CCCCCC3)NC2=O
InChi [?]:
InChI=1/C17H20ClN3O3/c18-12-6-5-7-13(10-12)19-14(22)11-21-15(23)17(20-16(21)24)8-3-1-2-4-9-17/h5-7,10H,1-4,8-9,11H2,(H,19,22)(H,20,24)
InChi Info:
AuxInfo=1/1/N:18,19,17,20,1,6,2,16,21,4,11,5,3,9,13,23,15,7,8,22,12,10,14,24/E:(1,2)(3,4)(8,9)/rA:24nCCCCCCClNCOCNCOCCCCCCCNCO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;d13;s13;s15;s16;s17;s18;s19;s15s20;s15;s12s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20ClN3O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0286 |
Area: | 533.948 |
Solvation: | -3.32011 |
Coulombic: | -61.0017 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 349.812 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.33 |
LogP (Chemaxon): | 2.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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