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Chemical ID: 7680296

Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)c3cc(nc4c3c(nn4C(C)C)C)C

Chemical ID:

7680296

Name [?]:

None

SMILES [?]:

Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)c3cc(nc4c3c(nn4C(C)C)C)C

InChi [?]:

InChI=1/C23H29N5O3S/c1-15(2)28-22-21(18(5)25-28)20(14-17(4)24-22)23(29)26-10-12-27(13-11-26)32(30,31)19-8-6-16(3)7-9-19/h6-9,14-15H,10-13H2,1-5H3

InChi Info:

AuxInfo=1/0/N:29,30,1,32,31,3,7,4,6,13,15,12,16,20,28,2,21,25,5,19,24,23,17,22,26,14,11,27,18,9,10,8/E:(1,2)(6,7)(8,9)(10,11)(12,13)(30,31)/CRV:32.6/rA:32nCCCCCCCSOONCCNCCCOCCCNCCCNNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;s14;s11s15;s14;d17;s17;s19;d20;s21;d22;d19s23;s24;d25;s23s26;s27;s28;s28;s25;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₉N₅O₃S
All Atoms:	61
Heavy Atoms:	32
Chiral Atoms:	None

ZAP Information [?]

Total:	12.8416
Area:	671.389
Solvation:	-3.94311
Coulombic:	-34.0695

Bond Count [?]

All:	35
Single:	25
Double:	10
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.45
LogP (Chemaxon):	None

Name Annotations

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

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