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Chemical ID: 4561988

c1cc2n(c(=O)c1)CC3CC2CN(C3)CC(=O)N4CCc5c(c6cc(ccc6[nH]5)F)C4

Chemical ID:

4561988

Name [?]:

None

SMILES [?]:

c1cc2n(c(=O)c1)CC3CC2CN(C3)CC(=O)N4CCc5c(c6cc(ccc6[nH]5)F)C4

InChi [?]:

InChI=1/C24H25FN4O2/c25-17-4-5-20-18(9-17)19-13-28(7-6-21(19)26-20)24(31)14-27-10-15-8-16(12-27)22-2-1-3-23(30)29(22)11-15/h1-5,9,15-16,26H,6-8,10-14H2

InChi Info:

AuxInfo=1/0/N:1,2,7,26,27,20,19,10,24,14,8,12,31,15,9,11,25,23,22,28,21,3,5,16,30,29,13,18,4,6,17/rA:31cCCCNCOCCCCCCNCCCONCCCCCCCCCCNFC/rB:s1;d2;s3;s4;d5;d1s5;s4;s8;s9;s3s10;s11;s12;s9s13;s13;s15;d16;s16;s18;s19;s20;d21;s22;s23;d24;s25;d26;d23s27;s21s28;s25;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₅FN₄O₂
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	3

ZAP Information [?]

Total:	9.16438
Area:	588.327
Solvation:	-5.54379
Coulombic:	-49.3641

Bond Count [?]

All:	36
Single:	28
Double:	8
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	420.479
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	1.1
LogP (Chemaxon):	1.5

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