Chemical ID: 3954166

CC(=O)NC(Cc1ccc(cc1)F)C(=O)N2CCN(CC2)C(=O)Nc3ccc(cc3)OC
Chemical ID:
3954166
Name [?]:
4-[2-acetamido-3-(4-fluorophenyl)-propanoyl]-N,N-bis[4-[2-acetamido-3-(4-fluorophenyl)-propanoyl]piperazin-6-yl]-piperazine-1-carboxamide
SMILES [?]:
CC(=O)NC(Cc1ccc(cc1)F)C(=O)N2CCN(CC2)C(=O)Nc3ccc(cc3)OC
InChi [?]:
InChI=1/C23H27FN4O4/c1-16(29)25-21(15-17-3-5-18(24)6-4-17)22(30)27-11-13-28(14-12-27)23(31)26-19-7-9-20(32-2)10-8-19/h3-10,21H,11-15H2,1-2H3,(H,25,29)(H,26,31)
InChi Info:
AuxInfo=1/1/N:1,32,8,12,9,11,26,30,27,29,17,21,18,20,6,2,7,10,25,28,5,14,22,13,4,24,16,19,3,15,23,31/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:32cCCONCCCCCCCCFCONCCNCCCONCCCCCCOC/rB:s1;d2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s5;d14;s14;s16;s17;s18;s19;s16s20;s19;d22;s22;s24;s25;d26;s27;d28;d25s29;s28;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H27FN4O4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:9.02951
Area:655.312
Solvation:-7.35329
Coulombic:-75.5949
Bond Count [?]
All:34
Single:25
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:442.483
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:1.71
LogP (Chemaxon):1.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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