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Chemical ID: 6036854

Cc1cc(c(o1)C)C(=O)N(CCC(=O)N2CCOCC2)Cc3ccc(cc3)F

Chemical ID:

6036854

Name [?]:

N-[(4-fluorophenyl)methyl]-2,5-dimethyl-N-(2-morpholinocarbonylethyl)furan-3-carboxamide

SMILES [?]:

Cc1cc(c(o1)C)C(=O)N(CCC(=O)N2CCOCC2)Cc3ccc(cc3)F

InChi [?]:

InChI=1/C21H25FN2O4/c1-15-13-19(16(2)28-15)21(26)24(14-17-3-5-18(22)6-4-17)8-7-20(25)23-9-11-27-12-10-23/h3-6,13H,7-12,14H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,7,23,27,24,26,12,11,16,20,17,19,3,21,2,5,22,25,4,13,8,28,15,10,14,9,18,6/E:(3,4)(5,6)(9,10)(11,12)/rA:28nCCCCCOCCONCCCONCCOCCCCCCCCCF/rB:s1;d2;s3;d4;s2s5;s5;s4;d8;s8;s10;s11;s12;d13;s13;s15;s16;s17;s18;s15s19;s10;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₅FN₂O₄
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	8.64125
Area:	584.704
Solvation:	-5.97635
Coulombic:	-50.2276

Bond Count [?]

All:	30
Single:	23
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	388.433
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	1.59
LogP (Chemaxon):	1.33

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value