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Chemical ID: 6127206
Chemical ID:
6127206
Name [?]:
N-(4-dimethylaminophenyl)-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)-amino]-2-methyl-propanamide
SMILES [?]:
CC(C)(C(=O)Nc1ccc(cc1)N(C)C)N(Cc2ccc(cc2)F)C(=O)Cc3ccccc3
InChi [?]:
InChI=1/C27H30FN3O2/c1-27(2,26(33)29-23-14-16-24(17-15-23)30(3)4)31(19-21-10-12-22(28)13-11-21)25(32)18-20-8-6-5-7-9-20/h5-17H,18-19H2,1-4H3,(H,29,33)
InChi Info:
AuxInfo=1/1/N:1,3,14,15,31,30,32,29,33,19,23,20,22,8,12,9,11,27,17,28,18,21,7,10,25,4,2,24,6,13,16,26,5/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:33nCCCCONCCCCCCNCCNCCCCCCCFCOCCCCCCC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;s13;s13;s2;s16;s17;s18;d19;s20;d21;d18s22;s21;s16;d25;s25;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H30FN3O2 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.606 |
Area: | 656.501 |
Solvation: | -5.80652 |
Coulombic: | -48.3944 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 447.545 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.83 |
LogP (Chemaxon): | 5.31 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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