Chemical ID: 5940488

CCCC(=O)Nc1ccc(cc1)c2csc(n2)Nc3cc(ccc3Cl)Cl
Chemical ID:
5940488
Name [?]:
N-[4-[2-(2,5-dichlorophenyl)aminothiazol-4-yl]phenyl]butanamide
SMILES [?]:
CCCC(=O)Nc1ccc(cc1)c2csc(n2)Nc3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C19H17Cl2N3OS/c1-2-3-18(25)22-14-7-4-12(5-8-14)17-11-26-19(24-17)23-16-10-13(20)6-9-15(16)21/h4-11H,2-3H2,1H3,(H,22,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,3,9,11,22,8,12,23,20,14,10,21,7,24,19,13,4,16,26,25,6,18,17,5,15/E:(4,5)(7,8)/rA:26nCCCCONCCCCCCCCSCNNCCCCCCClCl/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;d13;s14;s15;s13d16;s16;s18;s19;d20;s21;d22;d19s23;s24;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17Cl2N3OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.8978
Area:626.685
Solvation:-2.76927
Coulombic:-39.5423
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:406.329
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:5.39
LogP (Chemaxon):6.03

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Descriptor Annotations

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