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Chemical ID: 5293542

CCOC(=O)c1cc2c(nc3c(cccn3c2=O)C)n(c1=NC(=O)c4ccccc4F)CCCOC(C)C

Chemical ID:

5293542

Name [?]:

None

SMILES [?]:

CCOC(=O)c1cc2c(nc3c(cccn3c2=O)C)n(c1=NC(=O)c4ccccc4F)CCCOC(C)C

InChi [?]:

InChI=1/C28H29FN4O5/c1-5-37-28(36)21-16-20-24(30-23-18(4)10-8-13-33(23)27(20)35)32(14-9-15-38-17(2)3)25(21)31-26(34)19-11-6-7-12-22(19)29/h6-8,10-13,16-17H,5,9,14-15H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,37,38,19,2,27,28,14,33,13,26,29,15,32,34,7,36,12,25,8,6,30,11,9,21,23,17,4,31,10,22,20,16,24,18,5,3,35/E:(2,3)/rA:38nCCOCOCCCCNCCCCCNCOCNCNCOCCCCCCFCCCOCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;d12;s13;d14;s11s15;s8s16;d17;s12;s9;s6s20;w21;s22;d23;s23;s25;d26;s27;d28;d25s29;s30;s20;s32;s33;s34;s35;s36;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₉FN₄O₅
All Atoms:	38
Heavy Atoms:	38
Chiral Atoms:	0

ZAP Information [?]

Total:	12.6126
Area:	732.581
Solvation:	-5.70188
Coulombic:	-75.806

Bond Count [?]

All:	41
Single:	29
Double:	12
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	520.552
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	3.46
LogP (Chemaxon):	4.24

Name Annotations

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

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