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Chemical ID: 7088918

Chemical ID:

7088918

Name [?]:

8-(3,4-dimethoxyphenyl)-4-methyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraene-7-carbaldehyde

SMILES [?]:

Cc1ccc2nc(c(n2c1)C=O)c3ccc(c(c3)OC)OC

InChi [?]:

InChI=1/C17H16N2O3/c1-11-4-7-16-18-17(13(10-20)19(16)9-11)12-5-6-14(21-2)15(8-12)22-3/h4-10H,1-3H3

InChi Info:

AuxInfo=1/0/N:1,22,20,3,14,15,4,18,10,11,2,13,8,16,17,5,7,6,9,12,21,19/rA:22nCCCCCNCCNCCOCCCCCCOCOC/rB:s1;s2;d3;s4;d5;s6;d7;s5s8;d2s9;s8;d11;s7;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₆N₂O₃
All Atoms:	38
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	6.20434
Area:	480.726
Solvation:	-5.81381
Coulombic:	-32.9936

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	296.321
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	2.36
LogP (Chemaxon):	2.83

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value