Chemical ID: 5943701

COCCCN(Cc1nc(cs1)C(=O)OC)C(=O)c2cccc3c2cccc3
Chemical ID:
5943701
Name [?]:
methyl 2-[(3-methoxypropyl-(1-naphthylcarbonyl)amino)methyl]thiazole-4-carboxylate
SMILES [?]:
COCCCN(Cc1nc(cs1)C(=O)OC)C(=O)c2cccc3c2cccc3
InChi [?]:
InChI=1/C21H22N2O4S/c1-26-12-6-11-23(13-19-22-18(14-28-19)21(25)27-2)20(24)17-10-5-8-15-7-3-4-9-16(15)17/h3-5,7-10,14H,6,11-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,27,26,21,4,28,22,25,20,5,3,7,11,23,24,19,10,8,17,13,9,6,18,14,2,15,12/rA:28nCOCCCNCCNCCSCOOCCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s8s11;s10;d13;s13;s15;s6;d17;s17;s19;d20;s21;d22;d19s23;s24;d25;s26;s23d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.4586
Area:629.219
Solvation:-5.27187
Coulombic:-52.3159
Bond Count [?]
All:30
Single:21
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:398.476
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.18
LogP (Chemaxon):2.42

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Descriptor Annotations

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