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Chemical ID: 4437577

c1ccc(cc1)Oc2ccc(cc2)NC(=O)CN3CCc4ccccc4C3

Chemical ID:

4437577

Name [?]:

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-phenoxyphenyl)-acetamide

SMILES [?]:

c1ccc(cc1)Oc2ccc(cc2)NC(=O)CN3CCc4ccccc4C3

InChi [?]:

InChI=1/C23H22N2O2/c26-23(17-25-15-14-18-6-4-5-7-19(18)16-25)24-20-10-12-22(13-11-20)27-21-8-2-1-3-9-21/h1-13H,14-17H2,(H,24,26)

InChi Info:

AuxInfo=1/1/N:1,2,6,23,24,22,25,3,5,10,12,9,13,20,19,27,17,21,26,11,4,8,15,14,18,16,7/E:(2,3)(8,9)(10,11)(12,13)/rA:27cCCCCCCOCCCCCCNCOCNCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s18;s19;s20;s21;d22;s23;d24;d21s25;s18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₂N₂O₂
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	1

ZAP Information [?]

Total:	10.3775
Area:	578.832
Solvation:	-4.09332
Coulombic:	-34.8364

Bond Count [?]

All:	30
Single:	20
Double:	10
Rotors:	6
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	358.433
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.84
LogP (Chemaxon):	4.43

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

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

Chemical Mix	Source	External ID	Descriptor	Value