Chemical ID: 5940698

CCCNC(=O)c1csc(n1)CN(CCC)C(=O)c2ccc(cc2)Cl
Chemical ID:
5940698
Name [?]:
2-[[(4-chlorobenzoyl)-propyl-amino]methyl]-N-propyl-thiazole-4-carboxamide
SMILES [?]:
CCCNC(=O)c1csc(n1)CN(CCC)C(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C18H22ClN3O2S/c1-3-9-20-17(23)15-12-25-16(21-15)11-22(10-4-2)18(24)13-5-7-14(19)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,16,2,15,20,24,21,23,3,14,12,8,19,22,7,10,5,17,25,4,11,13,6,18,9/E:(5,6)(7,8)/rA:25nCCCNCOCCSCNCNCCCCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s5;d7;s8;s9;s7d10;s10;s12;s13;s14;s15;s13;d17;s17;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22ClN3O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.6969
Area:613.511
Solvation:-2.64084
Coulombic:-47.9229
Bond Count [?]
All:26
Single:19
Double:7
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:379.905
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.4
LogP (Chemaxon):3.02

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