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Chemical ID: 5928184

Cc1cccc(c1Nc2c(nc3n2cccc3OCc4ccccc4)C(C)C)C

Chemical ID:

5928184

Name [?]:

2-benzyloxy-N-(2,6-dimethylphenyl)-8-isopropyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-amine

SMILES [?]:

Cc1cccc(c1Nc2c(nc3n2cccc3OCc4ccccc4)C(C)C)C

InChi [?]:

InChI=1/C25H27N3O/c1-17(2)22-25(27-23-18(3)10-8-11-19(23)4)28-15-9-14-21(24(28)26-22)29-16-20-12-6-5-7-13-20/h5-15,17,27H,16H2,1-4H3

InChi Info:

AuxInfo=1/0/N:27,28,1,29,23,22,24,4,15,3,5,21,25,16,14,19,26,2,6,20,17,10,7,12,9,11,8,13,18/E:(1,2)(3,4)(6,7)(10,11)(12,13)(18,19)/rA:29nCCCCCCCNCCNCNCCCCOCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;s9s12;s13;d14;s15;s12d16;s17;s18;s19;s20;d21;s22;d23;d20s24;s10;s26;s26;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₇N₃O
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.7021
Area:	606.198
Solvation:	-3.45289
Coulombic:	-34.278

Bond Count [?]

All:	32
Single:	22
Double:	10
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	385.501
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.88
LogP (Chemaxon):	6.35

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