Chemical ID: 7282168

CN(C)C(CNC(=O)C1CCCN1C(=O)c2cccs2)c3ccccc3
Chemical ID:
7282168
Name [?]:
N-(2-dimethylamino-2-phenyl-ethyl)-1-(2-thienylcarbonyl)pyrrolidine-2-carboxamide
SMILES [?]:
CN(C)C(CNC(=O)C1CCCN1C(=O)c2cccs2)c3ccccc3
InChi [?]:
InChI=1/C20H25N3O2S/c1-22(2)17(15-8-4-3-5-9-15)14-21-19(24)16-10-6-12-23(16)20(25)18-11-7-13-26-18/h3-5,7-9,11,13,16-17H,6,10,12,14H2,1-2H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,3,24,23,25,11,18,22,26,10,17,12,19,5,21,9,4,16,7,14,6,2,13,8,15,20/E:(1,2)(4,5)(8,9)/rA:26cCNCCCNCOCCCCNCOCCCCSCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s10;s11;s9s12;s13;d14;s14;d16;s17;d18;s16s19;s4;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25N3O2S
All Atoms:51
Heavy Atoms:26
Chiral Atoms:2
ZAP Information [?]
Total:10.901
Area:589.937
Solvation:-3.84744
Coulombic:-45.8225
Bond Count [?]
All:28
Single:21
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:371.498
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.04
LogP (Chemaxon):1.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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