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Chemical ID: 7294502
Chemical ID:
7294502
Name [?]:
N-[2-(2,4-dichlorophenyl)ethyl]-2-(1,3-dioxo-2,4-diazaspiro[4.6]undec-2-yl)-acetamide
SMILES [?]:
c1cc(c(cc1Cl)Cl)CCNC(=O)CN2C(=O)C3(CCCCCC3)NC2=O
InChi [?]:
InChI=1/C19H23Cl2N3O3/c20-14-6-5-13(15(21)11-14)7-10-22-16(25)12-24-17(26)19(23-18(24)27)8-3-1-2-4-9-19/h5-6,11H,1-4,7-10,12H2,(H,22,25)(H,23,27)
InChi Info:
AuxInfo=1/1/N:21,22,20,23,2,1,9,19,24,10,5,14,3,6,4,12,16,26,18,7,8,11,25,15,13,17,27/E:(1,2)(3,4)(8,9)/rA:27nCCCCCCClClCCNCOCNCOCCCCCCCNCO/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;s10;s11;d12;s12;s14;s15;d16;s16;s18;s19;s20;s21;s22;s18s23;s18;s15s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23Cl2N3O3 |
All Atoms: | 50 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9833 |
Area: | 619.964 |
Solvation: | -3.51582 |
Coulombic: | -62.3217 |
Bond Count [?]
All: | 29 |
Single: | 23 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 412.31 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.26 |
LogP (Chemaxon): | 2.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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