Chemical ID: 5292810

CCc1ccc(o1)CCC(=O)Nc2ncc(s2)Cc3ccc(c(c3)Cl)Cl
Chemical ID:
5292810
Name [?]:
N-[5-[(3,4-dichlorophenyl)methyl]thiazol-2-yl]-3-(5-ethyl-2-furyl)-propanamide
SMILES [?]:
CCc1ccc(o1)CCC(=O)Nc2ncc(s2)Cc3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C19H18Cl2N2O2S/c1-2-13-4-5-14(25-13)6-8-18(24)23-19-22-11-15(26-19)9-12-3-7-16(20)17(21)10-12/h3-5,7,10-11H,2,6,8-9H2,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,20,4,5,8,21,9,18,24,15,19,3,6,16,22,23,10,13,26,25,14,12,11,7,17/rA:26nCCCCCCOCCCONCNCCSCCCCCCCClCl/rB:s1;s2;d3;s4;d5;s3s6;s6;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s16;s18;s19;d20;s21;d22;d19s23;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18Cl2N2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.9115
Area:646.611
Solvation:-4.25375
Coulombic:-32.2751
Bond Count [?]
All:28
Single:20
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:409.33
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.36
LogP (Chemaxon):4.88

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Descriptor Annotations

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