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Chemical ID: 5760745
Chemical ID:
5760745
Name [?]:
(1-methyl-5-morpholinocarbonyl-pyrazol-3-yl)-morpholino-methanone
SMILES [?]:
Cn1c(cc(n1)C(=O)N2CCOCC2)C(=O)N3CCOCC3
InChi [?]:
InChI=1/C14H20N4O4/c1-16-12(14(20)18-4-8-22-9-5-18)10-11(15-16)13(19)17-2-6-21-7-3-17/h10H,2-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,14,18,22,11,13,19,21,4,5,3,7,15,6,2,9,17,8,16,12,20/E:(2,3)(4,5)(6,7)(8,9)/rA:22nCNCCCNCONCCOCCCONCCOCC/rB:s1;s2;d3;s4;s2d5;s5;d7;s7;s9;s10;s11;s12;s9s13;s3;d15;s15;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20N4O4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.71842 |
Area: | 483.404 |
Solvation: | -5.36669 |
Coulombic: | -55.0367 |
Bond Count [?]
All: | 24 |
Single: | 20 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 308.333 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | -1.18 |
LogP (Chemaxon): | -1.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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