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Chemical ID: 4747377
Chemical ID:
4747377
Name [?]:
4-[5-(4-phenoxyphenyl)-2H-pyrazol-3-yl]morpholine
SMILES [?]:
c1ccc(cc1)Oc2ccc(cc2)c3cc([nH]n3)N4CCOCC4
InChi [?]:
InChI=1/C19H19N3O2/c1-2-4-16(5-3-1)24-17-8-6-15(7-9-17)18-14-19(21-20-18)22-10-12-23-13-11-22/h1-9,14H,10-13H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,10,12,9,13,20,24,21,23,15,11,4,8,14,16,18,17,19,22,7/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:24nCCCCCCOCCCCCCCCCNNNCCOCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s16;d14s17;s16;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19N3O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.83689 |
Area: | 527.432 |
Solvation: | -4.3489 |
Coulombic: | -33.6731 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 321.373 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.43 |
LogP (Chemaxon): | 3.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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