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Chemical ID: 5940800
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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