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Chemical ID: 3865213

Chemical ID:

3865213

Name [?]:

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

SMILES [?]:

Cc1ccc2nc(c(n2c1)NC3CCCC3)c4ccc(cc4)OC

InChi [?]:

InChI=1/C20H23N3O/c1-14-7-12-18-22-19(15-8-10-17(24-2)11-9-15)20(23(18)13-14)21-16-5-3-4-6-16/h7-13,16,21H,3-6H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,24,14,15,13,16,3,18,22,19,21,4,10,2,17,12,20,5,7,8,11,6,9,23/E:(3,4)(5,6)(8,9)(10,11)/rA:24nCCCCCNCCNCNCCCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;s6;d7;s5s8;d2s9;s8;s11;s12;s13;s14;s12s15;s7;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	10.2579
Area:	523.762
Solvation:	-2.83614
Coulombic:	-32.4268

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:	4.4
LogP (Chemaxon):	4.34

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

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Chemical Mix	Source	External ID	Descriptor	Value