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Chemical ID: 7400731

Cc1c(c2ncc3c(n2n1)CC(CC3=O)c4ccc(cc4)F)c5ccc(cc5)F

Chemical ID:

7400731

Name [?]:

None

SMILES [?]:

Cc1c(c2ncc3c(n2n1)CC(CC3=O)c4ccc(cc4)F)c5ccc(cc5)F

InChi [?]:

InChI=1/C23H17F2N3O/c1-13-22(15-4-8-18(25)9-5-15)23-26-12-19-20(28(23)27-13)10-16(11-21(19)29)14-2-6-17(24)7-3-14/h2-9,12,16H,10-11H2,1H3

InChi Info:

AuxInfo=1/0/N:1,17,21,24,28,18,20,25,27,11,13,6,2,16,23,12,19,26,7,8,14,3,4,22,29,5,10,9,15/E:(2,3)(4,5)(6,7)(8,9)/rA:29cCCCCNCCCNNCCCCOCCCCCCFCCCCCCF/rB:s1;s2;d3;s4;d5;s6;d7;s4s8;d2s9;s8;s11;s12;s7s13;d14;s12;s16;d17;s18;d19;d16s20;s19;s3;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₇F₂N₃O
All Atoms:	46
Heavy Atoms:	29
Chiral Atoms:	1

ZAP Information [?]

Total:	9.6948
Area:	575.856
Solvation:	-4.70158
Coulombic:	-25.8819

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	389.397
H-Bond Donors:	0
H-Bond Acceptors:	1
XLogP:	3.82
LogP (Chemaxon):	4.12

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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