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Chemical ID: 5940789
Chemical ID:
5940789
Name [?]:
2-[(cyclopentylcarbonyl-(3-methoxypropyl)amino)methyl]-N-(3-methoxypropyl)thiazole-4-carboxamide
SMILES [?]:
COCCCNC(=O)c1csc(n1)CN(CCCOC)C(=O)C2CCCC2
InChi [?]:
InChI=1/C19H31N3O4S/c1-25-11-5-9-20-18(23)16-14-27-17(21-16)13-22(10-6-12-26-2)19(24)15-7-3-4-8-15/h14-15H,3-13H2,1-2H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,20,25,26,4,17,24,27,5,16,3,18,14,10,23,9,12,7,21,6,13,15,8,22,2,19,11/E:(3,4)(7,8)/rA:27nCOCCCNCOCCSCNCNCCCOCCOCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s10;s11;s9d12;s12;s14;s15;s16;s17;s18;s19;s15;d21;s21;s23;s24;s25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H31N3O4S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6232 |
Area: | 671.883 |
Solvation: | -6.17393 |
Coulombic: | -59.2024 |
Bond Count [?]
All: | 28 |
Single: | 24 |
Double: | 4 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 397.533 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.18 |
LogP (Chemaxon): | 0.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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