Chemical ID: 5944002

CC(C)CCN(Cc1nc(cs1)C(=O)OC)C(=O)c2cccc(c2)OC
Chemical ID:
5944002
Name [?]:
methyl 2-[[isopentyl-(3-methoxybenzoyl)-amino]methyl]thiazole-4-carboxylate
SMILES [?]:
CC(C)CCN(Cc1nc(cs1)C(=O)OC)C(=O)c2cccc(c2)OC
InChi [?]:
InChI=1/C19H24N2O4S/c1-13(2)8-9-21(11-17-20-16(12-26-17)19(23)25-4)18(22)14-6-5-7-15(10-14)24-3/h5-7,10,12-13H,8-9,11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,26,16,21,20,22,4,5,24,7,11,2,19,23,10,8,17,13,9,6,18,14,25,15,12/E:(1,2)/rA:26nCCCCCNCCNCCSCOOCCOCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;s8s11;s10;d13;s13;s15;s6;d17;s17;s19;d20;s21;d22;d19s23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H24N2O4S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.7671
Area:602.139
Solvation:-4.28637
Coulombic:-51.6353
Bond Count [?]
All:27
Single:20
Double:7
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:376.471
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.52
LogP (Chemaxon):2.81

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Descriptor Annotations

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