Chemical ID: 7219316

Cn1c2c(cn1)c3nc(nn3cn2)C4CCN(CC4)S(=O)(=O)c5ccc(cc5)Cl
Chemical ID:
7219316
Name [?]:
None
SMILES [?]:
Cn1c2c(cn1)c3nc(nn3cn2)C4CCN(CC4)S(=O)(=O)c5ccc(cc5)Cl
InChi [?]:
InChI=1/C18H18ClN7O2S/c1-24-17-15(10-21-24)18-22-16(23-26(18)11-20-17)12-6-8-25(9-7-12)29(27,28)14-4-2-13(19)3-5-14/h2-5,10-12H,6-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,27,24,28,15,19,16,18,5,12,14,26,23,4,9,3,7,29,13,6,8,10,2,17,11,21,22,20/E:(2,3)(4,5)(6,7)(8,9)(27,28)/CRV:29.6/rA:29nCNCCCNCNCNNCNCCCNCCSOOCCCCCCCl/rB:s1;s2;d3;s4;s2d5;s4;d7;s8;d9;s7s10;s11;s3d12;s9;s14;s15;s16;s17;s14s18;s17;d20;d20;s20;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18ClN7O2S
All Atoms:47
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.7028
Area:617.442
Solvation:-3.73324
Coulombic:-28.387
Bond Count [?]
All:33
Single:23
Double:10
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:431.9
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.91
LogP (Chemaxon):3.04

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Descriptor Annotations

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