Chemical ID: 5943703

COCCCN(Cc1nc(cs1)C(=O)OC)C(=O)c2cccc(c2)C(F)(F)F
Chemical ID:
5943703
Name [?]:
methyl 2-[[3-methoxypropyl-[3-(trifluoromethyl)benzoyl]-amino]methyl]thiazole-4-carboxylate
SMILES [?]:
COCCCN(Cc1nc(cs1)C(=O)OC)C(=O)c2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C18H19F3N2O4S/c1-26-8-4-7-23(10-15-22-14(11-28-15)17(25)27-2)16(24)12-5-3-6-13(9-12)18(19,20)21/h3,5-6,9,11H,4,7-8,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,21,4,20,22,5,3,24,7,11,19,23,10,8,17,13,25,26,27,28,9,6,18,14,2,15,12/E:(19,20,21)/rA:28nCOCCCNCCNCCSCOOCCOCCCCCCCFFF/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s8s11;s10;d13;s13;s15;s6;d17;s17;s19;d20;s21;d22;d19s23;s23;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19F3N2O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.49802
Area:616.192
Solvation:-5.90678
Coulombic:-69.2863
Bond Count [?]
All:29
Single:22
Double:7
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:416.416
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.84
LogP (Chemaxon):2.3

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Descriptor Annotations

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