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Chemical ID: 5938470
Chemical ID:
5938470
Name [?]:
N-[4-(2-pyrrolidin-1-ylthiazol-4-yl)phenyl]benzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2ccc(cc2)c3csc(n3)N4CCCC4
InChi [?]:
InChI=1/C20H19N3OS/c24-19(16-6-2-1-3-7-16)21-17-10-8-15(9-11-17)18-14-25-20(22-18)23-12-4-5-13-23/h1-3,6-11,14H,4-5,12-13H2,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,23,24,3,5,12,14,11,15,22,25,17,13,4,10,16,7,19,9,20,21,8,18/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25nCCCCCCCONCCCCCCCCSCNNCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;d16;s17;s18;s16d19;s19;s21;s22;s23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19N3OS |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3484 |
Area: | 566.32 |
Solvation: | -2.8096 |
Coulombic: | -36.2716 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 349.45 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.54 |
LogP (Chemaxon): | 5.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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