Chemical ID: 6007150

CCOCCCN(CC(=O)Nc1nc(cs1)C)C(=O)c2ccc(cc2)F
Chemical ID:
6007150
Name [?]:
N-(3-ethoxypropyl)-4-fluoro-N-[(4-methylthiazol-2-yl)carbamoylmethyl]benzamide
SMILES [?]:
CCOCCCN(CC(=O)Nc1nc(cs1)C)C(=O)c2ccc(cc2)F
InChi [?]:
InChI=1/C18H22FN3O3S/c1-3-25-10-4-9-22(17(24)14-5-7-15(19)8-6-14)11-16(23)21-18-20-13(2)12-26-18/h5-8,12H,3-4,9-11H2,1-2H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,17,2,5,21,25,22,24,6,4,8,15,14,20,23,9,18,12,26,13,11,7,10,19,3,16/E:(5,6)(7,8)/rA:26nCCOCCCNCCONCNCCSCCOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s14;s7;d18;s18;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22FN3O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.03777
Area:604.867
Solvation:-6.08391
Coulombic:-53.5112
Bond Count [?]
All:27
Single:20
Double:7
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:379.45
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.18
LogP (Chemaxon):2.07

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