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Chemical ID: 7461259

c1ccc2c(c1)c3c([nH]2)C(N4C(C3)C(=O)N(CC4=O)CCc5ccc(cc5)F)c6cccc(c6)N(=O)=O

Chemical ID:

7461259

Name [?]:

None

SMILES [?]:

c1ccc2c(c1)c3c([nH]2)C(N4C(C3)C(=O)N(CC4=O)CCc5ccc(cc5)F)c6cccc(c6)N(=O)=O

InChi [?]:

InChI=1/C28H23FN4O4/c29-19-10-8-17(9-11-19)12-13-31-16-25(34)32-24(28(31)35)15-22-21-6-1-2-7-23(21)30-26(22)27(32)18-4-3-5-20(14-18)33(36)37/h1-11,14,24,27,30H,12-13,15-16H2

InChi Info:

AuxInfo=1/0/N:1,2,31,30,32,6,3,23,27,24,26,21,20,34,13,17,22,29,25,33,5,7,4,12,18,8,10,14,28,9,16,11,35,19,15,36,37/E:(8,9)(10,11)(36,37)/CRV:33.5/rA:37cCCCCCCCCNCNCCCONCCOCCCCCCCCFCCCCCCNOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s7s12;s12;d14;s14;s16;s11s17;d18;s16;s20;s21;s22;d23;s24;d25;d22s26;s25;s10;s29;d30;s31;d32;d29s33;s33;d35;d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₃FN₄O₄
All Atoms:	60
Heavy Atoms:	37
Chiral Atoms:	2

ZAP Information [?]

Total:	8.17166
Area:	697.081
Solvation:	-9.25536
Coulombic:	-62.952

Bond Count [?]

All:	42
Single:	28
Double:	14
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	498.505
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	3.86
LogP (Chemaxon):	4.43

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