Chemical ID: 6127206

CC(C)(C(=O)Nc1ccc(cc1)N(C)C)N(Cc2ccc(cc2)F)C(=O)Cc3ccccc3
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

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Descriptor Annotations

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