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Chemical ID: 3865185

Chemical ID:

3865185

Name [?]:

N-cyclopentyl-8-(4-methoxyphenyl)-5-methyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-amine

SMILES [?]:

Cc1cccc2n1c(c(n2)c3ccc(cc3)OC)NC4CCCC4

InChi [?]:

InChI=1/C20H23N3O/c1-14-6-5-9-18-22-19(15-10-12-17(24-2)13-11-15)20(23(14)18)21-16-7-3-4-8-16/h5-6,9-13,16,21H,3-4,7-8H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,18,22,23,4,3,21,24,5,12,16,13,15,2,11,20,14,6,9,8,19,10,7,17/E:(3,4)(7,8)(10,11)(12,13)/rA:24nCCCCCCNCCNCCCCCCOCNCCCCC/rB:s1;d2;s3;d4;s5;s2s6;s7;d8;d6s9;s9;s11;d12;s13;d14;d11s15;s14;s17;s8;s19;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₃N₃O
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	9.68112
Area:	507.331
Solvation:	-3.00217
Coulombic:	-32.0912

Bond Count [?]

All:	27
Single:	20
Double:	7
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	321.416
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.49
LogP (Chemaxon):	3.89

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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