Chemical ID: 5938515

c1cc(cc(c1)NC(=O)c2ccc(cc2)Cl)c3csc(n3)N4CCCC4
Chemical ID:
5938515
Name [?]:
4-chloro-N-[3-(2-pyrrolidin-1-ylthiazol-4-yl)phenyl]-benzamide
SMILES [?]:
c1cc(cc(c1)NC(=O)c2ccc(cc2)Cl)c3csc(n3)N4CCCC4
InChi [?]:
InChI=1/C20H18ClN3OS/c21-16-8-6-14(7-9-16)19(25)22-17-5-3-4-15(12-17)18-13-26-20(23-18)24-10-1-2-11-24/h3-9,12-13H,1-2,10-11H2,(H,22,25)
InChi Info:
AuxInfo=1/1/N:24,25,1,2,6,11,15,12,14,23,26,4,18,10,3,13,5,17,8,20,16,7,21,22,9,19/E:(1,2)(6,7)(8,9)(10,11)/rA:26nCCCCCCNCOCCCCCCClCCSCNNCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;s3;d17;s18;s19;s17d20;s20;s22;s23;s24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18ClN3OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.2304
Area:598.866
Solvation:-2.74124
Coulombic:-36.3114
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:383.895
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.17
LogP (Chemaxon):5.55

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Descriptor Annotations

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