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Chemical ID: 6240338

Cc1ccn2c(c1)nc(c2NC(=O)c3cccc(c3)OC)c4ccc(cc4)OC

Chemical ID:

6240338

Name [?]:

3-methoxy-N-[8-(4-methoxyphenyl)-4-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl]-benzamide

SMILES [?]:

Cc1ccn2c(c1)nc(c2NC(=O)c3cccc(c3)OC)c4ccc(cc4)OC

InChi [?]:

InChI=1/C23H21N3O3/c1-15-11-12-26-20(13-15)24-21(16-7-9-18(28-2)10-8-16)22(26)25-23(27)17-5-4-6-19(14-17)29-3/h4-14H,1-3H3,(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,29,21,16,15,17,23,27,24,26,3,4,7,19,2,22,14,25,18,6,9,10,12,8,11,5,13,28,20/E:(7,8)(9,10)/rA:29nCCCCNCCNCCNCOCCCCCCOCCCCCCCOC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s20;s9;s22;d23;s24;d25;d22s26;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₁N₃O₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	9.76281
Area:	608.784
Solvation:	-5.45679
Coulombic:	-48.0694

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	387.431
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.59
LogP (Chemaxon):	4.38

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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