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Chemical ID: 5928078
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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