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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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