Chemical ID: 5940087

CCCCC(=O)Nc1ccc(cc1)c2csc(n2)Nc3cccc(c3)Cl
Chemical ID:
5940087
Name [?]:
N-[4-[2-(3-chlorophenyl)aminothiazol-4-yl]phenyl]pentanamide
SMILES [?]:
CCCCC(=O)Nc1ccc(cc1)c2csc(n2)Nc3cccc(c3)Cl
InChi [?]:
InChI=1/C20H20ClN3OS/c1-2-3-7-19(25)22-16-10-8-14(9-11-16)18-13-26-20(24-18)23-17-6-4-5-15(21)12-17/h4-6,8-13H,2-3,7H2,1H3,(H,22,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,3,22,23,21,4,10,12,9,13,25,15,11,24,8,20,14,5,17,26,7,19,18,6,16/E:(8,9)(10,11)/rA:26nCCCCCONCCCCCCCCSCNNCCCCCCCl/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s11;d14;s15;s16;s14d17;s17;s19;s20;d21;s22;d23;d20s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20ClN3OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.8406
Area:623.768
Solvation:-2.75361
Coulombic:-39.5926
Bond Count [?]
All:28
Single:19
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:385.911
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:5.34
LogP (Chemaxon):5.91

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Descriptor Annotations

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