Chemical ID: 5938526

Cc1ccccc1C(=O)Nc2cccc(c2)c3csc(n3)N4CCCC4
Chemical ID:
5938526
Name [?]:
2-methyl-N-[3-(2-pyrrolidin-1-ylthiazol-4-yl)phenyl]-benzamide
SMILES [?]:
Cc1ccccc1C(=O)Nc2cccc(c2)c3csc(n3)N4CCCC4
InChi [?]:
InChI=1/C21H21N3OS/c1-15-7-2-3-10-18(15)20(25)22-17-9-6-8-16(13-17)19-14-26-21(23-19)24-11-4-5-12-24/h2-3,6-10,13-14H,4-5,11-12H2,1H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,4,5,24,25,13,3,14,12,6,23,26,16,18,2,15,11,7,17,8,20,10,21,22,9,19/E:(4,5)(11,12)/rA:26nCCCCCCCCONCCCCCCCCSCNNCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;d17;s18;s19;s17d20;s20;s22;s23;s24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21N3OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.671
Area:577.86
Solvation:-2.77554
Coulombic:-36.1235
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:363.477
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.98
LogP (Chemaxon):5.5

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