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Chemical ID: 3865207

Chemical ID:

3865207

Name [?]:

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

SMILES [?]:

Cc1ccc2nc(c(n2c1)NC3CCCC3)c4ccccc4

InChi [?]:

InChI=1/C19H21N3/c1-14-11-12-17-21-18(15-7-3-2-4-8-15)19(22(17)13-14)20-16-9-5-6-10-16/h2-4,7-8,11-13,16,20H,5-6,9-10H2,1H3

InChi Info:

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

Chemical Details

Atom Count

Formula:	C₁₉H₂₁N₃
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4535
Area:	479.461
Solvation:	-1.53303
Coulombic:	-26.2242

Bond Count [?]

All:	25
Single:	18
Double:	7
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	291.39
H-Bond Donors:	1
H-Bond Acceptors:	1
XLogP:	4.48
LogP (Chemaxon):	4.6

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