Chemical ID: 5940800

CCCCCCC(=O)N(CCCOC)Cc1nc(cs1)C(=O)NCCCOC
Chemical ID:
5940800
Name [?]:
2-[(heptanoyl-(3-methoxypropyl)amino)methyl]-N-(3-methoxypropyl)thiazole-4-carboxamide
SMILES [?]:
CCCCCCC(=O)N(CCCOC)Cc1nc(cs1)C(=O)NCCCOC
InChi [?]:
InChI=1/C20H35N3O4S/c1-4-5-6-7-10-19(24)23(12-9-14-27-3)15-18-22-17(16-28-18)20(25)21-11-8-13-26-2/h16H,4-15H2,1-3H3,(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,28,14,2,3,4,5,25,11,6,24,10,26,12,15,19,18,16,7,21,23,17,9,8,22,27,13,20/rA:28nCCCCCCCONCCCOCCCNCCSCONCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s13;s9;s15;d16;s17;d18;s16s19;s18;d21;s21;s23;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H35N3O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.5038
Area:740.431
Solvation:-6.00698
Coulombic:-59.7694
Bond Count [?]
All:28
Single:24
Double:4
Rotors:18
Chiral:0
Rigid Segments:12
Chemical Properties
Molecular Weight:413.576
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.36
LogP (Chemaxon):1.13

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Descriptor Annotations

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