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Chemical ID: 7264402
Chemical ID:
7264402
Name [?]:
3-[(3-methoxyphenyl)methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILES [?]:
CC1CC(CC2(C1)C(=O)N(C(=O)N2)Cc3cccc(c3)OC)(C)C
InChi [?]:
InChI=1/C19H26N2O3/c1-13-9-18(2,3)12-19(10-13)16(22)21(17(23)20-19)11-14-6-5-7-15(8-14)24-4/h5-8,13H,9-12H2,1-4H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,23,24,22,17,16,18,20,3,7,14,5,2,15,19,8,11,4,6,13,10,9,12,21/E:(2,3)/rA:24cCCCCCCCCONCONCCCCCCCOCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;s8;s10;d11;s6s11;s10;s14;s15;d16;s17;d18;d15s19;s19;s21;s4;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H26N2O3 |
All Atoms: | 50 |
Heavy Atoms: | 24 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.70898 |
Area: | 519.407 |
Solvation: | -3.27619 |
Coulombic: | -49.2636 |
Bond Count [?]
All: | 26 |
Single: | 21 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 330.421 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.65 |
LogP (Chemaxon): | 3.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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