Chemical ID: 6638257

Cc1ccc(cc1)S(=O)(=O)N2CC(=O)N(C2=N)CCc3ccccc3
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

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Descriptor Annotations

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