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Chemical ID: 5927785
Chemical ID:
5927785
Name [?]:
N-cyclohexyl-8-(2-furyl)-5-methyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-amine
SMILES [?]:
Cc1cccc2n1c(c(n2)c3ccco3)NC4CCCCC4
InChi [?]:
InChI=1/C18H21N3O/c1-13-7-5-11-16-20-17(15-10-6-12-22-15)18(21(13)16)19-14-8-3-2-4-9-14/h5-7,10-12,14,19H,2-4,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,21,4,13,3,18,22,12,5,14,2,17,11,6,9,8,16,10,7,15/E:(3,4)(8,9)/rA:22nCCCCCCNCCNCCCCONCCCCCC/rB:s1;d2;s3;d4;s5;s2s6;s7;d8;d6s9;s9;d11;s12;d13;s11s14;s8;s16;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21N3O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.0947 |
Area: | 466.489 |
Solvation: | -2.56752 |
Coulombic: | -31.7402 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 295.379 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.85 |
LogP (Chemaxon): | 3.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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