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Chemical ID: 6638257
Chemical ID:
6638257
Name [?]:
2-imino-3-phenethyl-1-(p-tolylsulfonyl)imidazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)N2CC(=O)N(C2=N)CCc3ccccc3
InChi [?]:
InChI=1/C18H19N3O3S/c1-14-7-9-16(10-8-14)25(23,24)21-13-17(22)20(18(21)19)12-11-15-5-3-2-4-6-15/h2-10,19H,11-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,22,24,21,25,3,7,4,6,19,18,12,2,20,5,13,16,17,15,11,14,9,10,8/E:(3,4)(5,6)(7,8)(9,10)(23,24)/CRV:25.6/rA:25nCCCCCCCSOONCCONCNCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;d13;s13;s11s15;w16;s15;s18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19N3O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5182 |
Area: | 558.843 |
Solvation: | -3.4529 |
Coulombic: | -37.5201 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 357.428 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.41 |
LogP (Chemaxon): | 3.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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