Chemical ID: 6738867

c1ccc(cc1)CN2CCN(C2=O)CC(=O)NCc3cccs3
Chemical ID:
6738867
Name [?]:
2-(3-benzyl-2-oxo-imidazolidin-1-yl)-N-(2-thienylmethyl)acetamide
SMILES [?]:
c1ccc(cc1)CN2CCN(C2=O)CC(=O)NCc3cccs3
InChi [?]:
InChI=1/C17H19N3O2S/c21-16(18-11-15-7-4-10-23-15)13-20-9-8-19(17(20)22)12-14-5-2-1-3-6-14/h1-7,10H,8-9,11-13H2,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,21,3,5,20,9,10,22,18,7,14,4,19,15,12,17,8,11,16,13,23/E:(2,3)(5,6)/rA:23nCCCCCCCNCCNCOCCONCCCCCS/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s8s11;d12;s11;s14;d15;s15;s17;s18;d19;s20;d21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19N3O2S
All Atoms:42
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.77719
Area:549.342
Solvation:-3.95636
Coulombic:-48.1571
Bond Count [?]
All:25
Single:18
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:329.418
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.08
LogP (Chemaxon):1.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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