Chemical ID: 3891143

CN(C)CCCN(c1nc(cs1)c2ccc(cc2)Cl)C(=O)c3ccco3
Chemical ID:
3891143
Name [?]:
N-[4-(4-chlorophenyl)thiazol-2-yl]-N-(3-dimethylaminopropyl)furan-2-carboxamide
SMILES [?]:
CN(C)CCCN(c1nc(cs1)c2ccc(cc2)Cl)C(=O)c3ccco3
InChi [?]:
InChI=1/C19H20ClN3O2S/c1-22(2)10-4-11-23(18(24)17-5-3-12-25-17)19-21-16(13-26-19)14-6-8-15(20)9-7-14/h3,5-9,12-13H,4,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,24,5,23,14,18,15,17,4,6,25,11,13,16,10,22,20,8,19,9,2,7,21,26,12/E:(1,2)(6,7)(8,9)/rA:26nCNCCCCNCNCCSCCCCCCClCOCCCCO/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;s8s11;s10;s13;d14;s15;d16;d13s17;s16;s7;d20;s20;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20ClN3O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.767
Area:601.446
Solvation:-3.2691
Coulombic:-37.9029
Bond Count [?]
All:28
Single:20
Double:8
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:389.9
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.5
LogP (Chemaxon):3.71

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