Chemical ID: 5938470

c1ccc(cc1)C(=O)Nc2ccc(cc2)c3csc(n3)N4CCCC4
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

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Descriptor Annotations

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