Chemical ID: 5943710

CCc1ccc(cc1)C(=O)N(CCCOC)Cc2nc(cs2)C(=O)OC
Chemical ID:
5943710
Name [?]:
methyl 2-[[(4-ethylbenzoyl)-(3-methoxypropyl)amino]methyl]thiazole-4-carboxylate
SMILES [?]:
CCc1ccc(cc1)C(=O)N(CCCOC)Cc2nc(cs2)C(=O)OC
InChi [?]:
InChI=1/C19H24N2O4S/c1-4-14-6-8-15(9-7-14)18(22)21(10-5-11-24-2)12-17-20-16(13-26-17)19(23)25-3/h6-9,13H,4-5,10-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,26,2,13,4,8,5,7,12,14,17,21,3,6,20,18,9,23,19,11,10,24,15,25,22/E:(6,7)(8,9)/rA:26nCCCCCCCCCONCCCOCCCNCCSCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s15;s11;s17;d18;s19;d20;s18s21;s20;d23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H24N2O4S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.8782
Area:619.936
Solvation:-4.62016
Coulombic:-52.1309
Bond Count [?]
All:27
Single:20
Double:7
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:376.471
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.81
LogP (Chemaxon):2.28

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Descriptor Annotations

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