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Chemical ID: 7261853
Chemical ID:
7261853
Name [?]:
3-[(3-methoxyphenyl)methyl]-10-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILES [?]:
CC1CCCCC12C(=O)N(C(=O)N2)Cc3cccc(c3)OC
InChi [?]:
InChI=1/C17H22N2O3/c1-12-6-3-4-9-17(12)15(20)19(16(21)18-17)11-13-7-5-8-14(10-13)22-2/h5,7-8,10,12H,3-4,6,9,11H2,1-2H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,22,4,5,17,3,16,18,6,20,14,2,15,19,8,11,7,13,10,9,12,21/rA:22cCCCCCCCCONCONCCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s7;d8;s8;s10;d11;s7s11;s10;s14;s15;d16;s17;d18;d15s19;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22N2O3 |
All Atoms: | 44 |
Heavy Atoms: | 22 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.61936 |
Area: | 475.553 |
Solvation: | -3.26946 |
Coulombic: | -48.9708 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 302.368 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.33 |
LogP (Chemaxon): | 2.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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