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Chemical ID: 6738823

Chemical ID:

6738823

Name [?]:

2-[3-(m-tolylmethyl)-2-oxo-imidazolidin-1-yl]-N-(2-thienylmethyl)acetamide

SMILES [?]:

Cc1cccc(c1)CN2CCN(C2=O)CC(=O)NCc3cccs3

InChi [?]:

InChI=1/C18H21N3O2S/c1-14-4-2-5-15(10-14)12-20-7-8-21(18(20)23)13-17(22)19-11-16-6-3-9-24-16/h2-6,9-10H,7-8,11-13H2,1H3,(H,19,22)

InChi Info:

AuxInfo=1/1/N:1,4,22,3,5,21,10,11,23,7,19,8,15,2,6,20,16,13,18,9,12,17,14,24/rA:24nCCCCCCCCNCCNCOCCONCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s9s12;d13;s12;s15;d16;s16;s18;s19;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₁N₃O₂S
All Atoms:	45
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2738
Area:	569.089
Solvation:	-3.95346
Coulombic:	-47.8976

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	343.444
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	1.51
LogP (Chemaxon):	1.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value