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Chemical ID: 6016555

c1ccc(cc1)OCC(=O)N(CCCN2CCOCC2)CC(=O)N(Cc3ccc(cc3)F)Cc4ccco4

Chemical ID:

6016555

Name [?]:

N-[[(4-fluorophenyl)methyl-(2-furylmethyl)carbamoyl]methyl]-N-(3-morpholinopropyl)-2-phenoxy-acetamide

SMILES [?]:

c1ccc(cc1)OCC(=O)N(CCCN2CCOCC2)CC(=O)N(Cc3ccc(cc3)F)Cc4ccco4

InChi [?]:

InChI=1/C29H34FN3O5/c30-25-11-9-24(10-12-25)20-33(21-27-8-4-17-37-27)28(34)22-32(14-5-13-31-15-18-36-19-16-31)29(35)23-38-26-6-2-1-3-7-26/h1-4,6-12,17H,5,13-16,18-23H2

InChi Info:

AuxInfo=1/0/N:1,2,6,36,13,3,5,35,27,31,28,30,14,12,16,20,37,17,19,25,33,21,8,26,29,4,34,22,9,32,15,11,24,23,10,18,38,7/E:(2,3)(6,7)(9,10)(11,12)(15,16)(18,19)/rA:38nCCCCCCOCCONCCCNCCOCCCCONCCCCCCCFCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s17;s18;s15s19;s11;s21;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;s29;s24;s33;d34;s35;d36;s34s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₃₄FN₃O₅
All Atoms:	38
Heavy Atoms:	38
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3534
Area:	795.558
Solvation:	-9.53554
Coulombic:	-64.0754

Bond Count [?]

All:	41
Single:	31
Double:	10
Rotors:	15
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	523.596
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	2.65
LogP (Chemaxon):	2.46

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value