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Chemical ID: 5940766
Chemical ID:
5940766
Name [?]:
2-[(cyclopropylcarbonyl-(3-methoxypropyl)amino)methyl]-N-(3-methoxypropyl)thiazole-4-carboxamide
SMILES [?]:
COCCCNC(=O)c1csc(n1)CN(CCCOC)C(=O)C2CC2
InChi [?]:
InChI=1/C17H27N3O4S/c1-23-9-3-7-18-16(21)14-12-25-15(19-14)11-20(8-4-10-24-2)17(22)13-5-6-13/h12-13H,3-11H2,1-2H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,20,4,17,24,25,5,16,3,18,14,10,23,9,12,7,21,6,13,15,8,22,2,19,11/E:(5,6)/rA:25nCOCCCNCOCCSCNCNCCCOCCOCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s10;s11;s9d12;s12;s14;s15;s16;s17;s18;s19;s15;d21;s21;s23;s23s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H27N3O4S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.54093 |
Area: | 620.538 |
Solvation: | -5.97252 |
Coulombic: | -58.7113 |
Bond Count [?]
All: | 26 |
Single: | 22 |
Double: | 4 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 369.48 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 0.04 |
LogP (Chemaxon): | -0.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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