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Chemical ID: 5938526
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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