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Chemical ID: 6028196
Chemical ID:
6028196
Name [?]:
1-(2,6-dimethylmorpholin-4-yl)-3-(7-ethyl-1H-indol-3-yl)-3-(4-fluorophenyl)-propan-1-one
SMILES [?]:
CCc1cccc2c1[nH]cc2C(CC(=O)N3CC(OC(C3)C)C)c4ccc(cc4)F
InChi [?]:
InChI=1/C25H29FN2O2/c1-4-18-6-5-7-21-23(13-27-25(18)21)22(19-8-10-20(26)11-9-19)12-24(29)28-14-16(2)30-17(3)15-28/h5-11,13,16-17,22,27H,4,12,14-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,23,2,5,4,6,25,29,26,28,13,10,21,17,20,18,3,24,27,7,12,11,14,8,30,9,16,15,19/E:(2,3)(8,9)(10,11)(14,15)(16,17)/rA:30cCCCCCCCCNCCCCCONCCOCCCCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7d10;s11;s12;s13;d14;s14;s16;s17;s18;s19;s16s20;s20;s18;s12;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H29FN2O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 11.1016 |
Area: | 635.203 |
Solvation: | -4.77851 |
Coulombic: | -40.0339 |
Bond Count [?]
All: | 33 |
Single: | 25 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 408.508 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.48 |
LogP (Chemaxon): | 5.14 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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