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Chemical ID: 6016483

Cc1ccc(cc1)C(=O)N(CCN2CCOCC2)CC(=O)N(Cc3ccc(cc3)F)Cc4ccco4

Chemical ID:

6016483

Name [?]:

N-[[(4-fluorophenyl)methyl-(2-furylmethyl)carbamoyl]methyl]-4-methyl-N-(2-morpholinoethyl)benzamide

SMILES [?]:

Cc1ccc(cc1)C(=O)N(CCN2CCOCC2)CC(=O)N(Cc3ccc(cc3)F)Cc4ccco4

InChi [?]:

InChI=1/C28H32FN3O4/c1-22-4-8-24(9-5-22)28(34)31(13-12-30-14-17-35-18-15-30)21-27(33)32(20-26-3-2-16-36-26)19-23-6-10-25(29)11-7-23/h2-11,16H,12-15,17-21H2,1H3

InChi Info:

AuxInfo=1/0/N:1,34,33,3,7,25,29,4,6,26,28,12,11,14,18,35,15,17,23,31,19,2,24,5,27,32,20,8,30,13,10,22,21,9,16,36/E:(4,5)(6,7)(8,9)(10,11)(14,15)(17,18)/rA:36nCCCCCCCCONCCNCCOCCCCONCCCCCCCFCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s14;s15;s16;s13s17;s10;s19;d20;s20;s22;s23;s24;d25;s26;d27;d24s28;s27;s22;s31;d32;s33;d34;s32s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₂FN₃O₄
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	0

ZAP Information [?]

Total:	10.83
Area:	723.804
Solvation:	-7.26512
Coulombic:	-58.4167

Bond Count [?]

All:	39
Single:	29
Double:	10
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	493.57
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	3.05
LogP (Chemaxon):	3.11

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