Chemical ID: 5943729

CCCCOc1ccc(cc1)C(=O)N(CCCOC)Cc2nc(cs2)C(=O)OC
Chemical ID:
5943729
Name [?]:
methyl 2-[[(4-butoxybenzoyl)-(3-methoxypropyl)amino]methyl]thiazole-4-carboxylate
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)N(CCCOC)Cc2nc(cs2)C(=O)OC
InChi [?]:
InChI=1/C21H28N2O5S/c1-4-5-13-28-17-9-7-16(8-10-17)20(24)23(11-6-12-26-2)14-19-22-18(15-29-19)21(25)27-3/h7-10,15H,4-6,11-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,29,2,3,16,8,10,7,11,15,17,4,20,24,9,6,23,21,12,26,22,14,13,27,18,28,5,25/E:(7,8)(9,10)/rA:29nCCCCOCCCCCCCONCCCOCCCNCCSCOOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s17;s18;s14;s20;d21;s22;d23;s21s24;s23;d26;s26;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H28N2O5S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.3111
Area:691.82
Solvation:-5.98441
Coulombic:-58.9827
Bond Count [?]
All:30
Single:23
Double:7
Rotors:14
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:420.523
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.18
LogP (Chemaxon):2.37

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Descriptor Annotations

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