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Chemical ID: 5928444

Cc1ccc2c(c1)c3c(n2Cc4ccccc4F)nc(nn3)SCCCCC(=O)NCCOC

Chemical ID:

5928444

Name [?]:

None

SMILES [?]:

Cc1ccc2c(c1)c3c(n2Cc4ccccc4F)nc(nn3)SCCCCC(=O)NCCOC

InChi [?]:

InChI=1/C25H28FN5O2S/c1-17-10-11-21-19(15-17)23-24(31(21)16-18-7-3-4-8-20(18)26)28-25(30-29-23)34-14-6-5-9-22(32)27-12-13-33-2/h3-4,7-8,10-11,15H,5-6,9,12-14,16H2,1-2H3,(H,27,32)

InChi Info:

AuxInfo=1/1/N:1,34,14,15,26,25,13,16,27,3,4,31,32,24,7,11,2,12,6,17,5,28,8,9,20,18,30,19,22,21,10,29,33,23/rA:34nCCCCCCCCCNCCCCCCCFNCNNSCCCCCONCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5s9;s10;s11;s12;d13;s14;d15;d12s16;s17;d9;s19;d20;d8s21;s20;s23;s24;s25;s26;s27;d28;s28;s30;s31;s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₈FN₅O₂S
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	13.7704
Area:	747.279
Solvation:	-4.91153
Coulombic:	-52.5842

Bond Count [?]

All:	37
Single:	27
Double:	10
Rotors:	12
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	481.587
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.94
LogP (Chemaxon):	4.65

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