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Chemical ID: 6127040
Chemical ID:
6127040
Name [?]:
N-[(2-fluorophenyl)methyl]-N-[(4-morpholinophenyl)carbamoylmethyl]-2-phenyl-acetamide
SMILES [?]:
c1ccc(cc1)CC(=O)N(Cc2ccccc2F)CC(=O)Nc3ccc(cc3)N4CCOCC4
InChi [?]:
InChI=1/C27H28FN3O3/c28-25-9-5-4-8-22(25)19-31(27(33)18-21-6-2-1-3-7-21)20-26(32)29-23-10-12-24(13-11-23)30-14-16-34-17-15-30/h1-13H,14-20H2,(H,29,32)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,15,3,5,13,16,24,28,25,27,30,34,31,33,7,11,19,4,12,23,26,17,20,8,18,22,29,10,21,9,32/E:(2,3)(6,7)(10,11)(12,13)(14,15)(16,17)/rA:34nCCCCCCCCONCCCCCCCFCCONCCCCCCNCCOCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s10;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s26;s29;s30;s31;s32;s29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H28FN3O3 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8684 |
Area: | 697.927 |
Solvation: | -6.57979 |
Coulombic: | -56.2059 |
Bond Count [?]
All: | 37 |
Single: | 26 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 461.528 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.8 |
LogP (Chemaxon): | 4.23 |
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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