Chemical ID: 7277750

COc1ccc(cc1OC)CCNC(=O)C2CCCN2C(=O)c3cccs3
Chemical ID:
7277750
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-thienylcarbonyl)pyrrolidine-2-carboxamide
SMILES [?]:
COc1ccc(cc1OC)CCNC(=O)C2CCCN2C(=O)c3cccs3
InChi [?]:
InChI=1/C20H24N2O4S/c1-25-16-8-7-14(13-17(16)26-2)9-10-21-19(23)15-5-3-11-22(15)20(24)18-6-4-12-27-18/h4,6-8,12-13,15H,3,5,9-11H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,10,18,25,17,24,5,4,11,12,19,26,7,6,16,3,8,23,14,21,13,20,15,22,2,9,27/rA:27cCOCCCCCCOCCCNCOCCCCNCOCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;d14;s14;s16;s17;s18;s16s19;s20;d21;s21;d23;s24;d25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H24N2O4S
All Atoms:51
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:8.60969
Area:618.856
Solvation:-6.86171
Coulombic:-53.304
Bond Count [?]
All:29
Single:22
Double:7
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:388.482
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.81
LogP (Chemaxon):1.57

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