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Chemical ID: 3918404

Cc1ccn2c(c1)nc(c2NCCc3ccccc3)c4ccc(c(c4)OC)OC

Chemical ID:

3918404

Name [?]:

8-(3,4-dimethoxyphenyl)-4-methyl-N-phenethyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine

SMILES [?]:

Cc1ccn2c(c1)nc(c2NCCc3ccccc3)c4ccc(c(c4)OC)OC

InChi [?]:

InChI=1/C24H25N3O2/c1-17-12-14-27-22(15-17)26-23(19-9-10-20(28-2)21(16-19)29-3)24(27)25-13-11-18-7-5-4-6-8-18/h4-10,12,14-16,25H,11,13H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,29,27,17,16,18,15,19,21,22,13,3,12,4,7,25,2,14,20,23,24,6,9,10,11,8,5,28,26/E:(5,6)(7,8)/rA:29nCCCCNCCNCCNCCCCCCCCCCCCCCOCOC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s9;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₅N₃O₂
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3381
Area:	621.868
Solvation:	-5.20862
Coulombic:	-39.8189

Bond Count [?]

All:	32
Single:	22
Double:	10
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	387.474
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.87
LogP (Chemaxon):	4.93

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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