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Chemical ID: 7413629
Chemical ID:
7413629
Name [?]:
5-(2-methylsulfanylethyl)-3-[4-(morpholinomethyl)phenyl]-imidazolidine-2,4-dione
SMILES [?]:
CSCCC1C(=O)N(C(=O)N1)c2ccc(cc2)CN3CCOCC3
InChi [?]:
InChI=1/C17H23N3O3S/c1-24-11-6-15-16(21)20(17(22)18-15)14-4-2-13(3-5-14)12-19-7-9-23-10-8-19/h2-5,15H,6-12H2,1H3,(H,18,22)
InChi Info:
AuxInfo=1/1/N:1,14,16,13,17,4,20,24,21,23,3,18,15,12,5,6,9,11,19,8,7,10,22,2/E:(2,3)(4,5)(7,8)(9,10)/rA:24cCSCCCCONCONCCCCCCCNCCOCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s5s9;s8;s12;d13;s14;d15;d12s16;s15;s18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H23N3O3S |
All Atoms: | 47 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.8484 |
Area: | 564.683 |
Solvation: | -4.26867 |
Coulombic: | -53.548 |
Bond Count [?]
All: | 26 |
Single: | 21 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 349.449 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.24 |
LogP (Chemaxon): | 1.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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