Chemical ID: 5928078

CC(C)(C)Nc1c(nc2n1cc(cc2Cl)Cl)C3CCCCC3
Chemical ID:
5928078
Name [?]:
2,4-dichloro-8-cyclohexyl-N-tert-butyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-amine
SMILES [?]:
CC(C)(C)Nc1c(nc2n1cc(cc2Cl)Cl)C3CCCCC3
InChi [?]:
InChI=1/C17H23Cl2N3/c1-17(2,3)21-16-14(11-7-5-4-6-8-11)20-15-13(19)9-12(18)10-22(15)16/h9-11,21H,4-8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,20,19,21,18,22,13,11,17,12,14,7,9,6,2,16,15,8,5,10/E:(1,2,3)(5,6)(7,8)/rA:22nCCCCNCCNCNCCCCClClCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;s6s9;s10;d11;s12;s9d13;s14;s12;s7;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H23Cl2N3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.5084
Area:508.323
Solvation:-1.19969
Coulombic:-25.6103
Bond Count [?]
All:24
Single:20
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:340.29
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:5.66
LogP (Chemaxon):4.77

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Descriptor Annotations

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