ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7704394

CNC(=O)COc1ccccc1C(=O)NC(c2ccccc2)c3ccccc3

Chemical ID:

7704394

Name [?]:

None

SMILES [?]:

CNC(=O)COc1ccccc1C(=O)NC(c2ccccc2)c3ccccc3

InChi [?]:

InChI=1/C23H22N2O3/c1-24-21(26)16-28-20-15-9-8-14-19(20)23(27)25-22(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,22H,16H2,1H3,(H,24,26)(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,20,26,19,21,25,27,10,9,18,22,24,28,11,8,5,17,23,12,7,3,16,13,2,15,4,14,6/E:(2,3)(4,5,6,7)(10,11,12,13)(17,18)/rA:28nCNCOCOCCCCCCCONCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s16;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₂N₂O₃
All Atoms:	50
Heavy Atoms:	28
Chiral Atoms:	None

ZAP Information [?]

Total:	8.85011
Area:	613.136
Solvation:	-6.47828
Coulombic:	-51.9088

Bond Count [?]

All:	30
Single:	19
Double:	11
Rotors:	9
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.8
LogP (Chemaxon):	None

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