ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7623410

CCOC(=O)c1c(c2c(cn1)[nH]c3c2c(ccc3)OCc4ccccc4)COC

Chemical ID:

7623410

Name [?]:

None

SMILES [?]:

CCOC(=O)c1c(c2c(cn1)[nH]c3c2c(ccc3)OCc4ccccc4)COC

InChi [?]:

InChI=1/C23H22N2O4/c1-3-28-23(26)22-16(14-27-2)20-18(12-24-22)25-17-10-7-11-19(21(17)20)29-13-15-8-5-4-6-9-15/h4-12,25H,3,13-14H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,29,2,24,23,25,17,22,26,18,16,10,20,27,21,7,13,9,15,8,14,6,4,11,12,5,28,3,19/E:(5,6)(8,9)/rA:29nCCOCOCCCCCNNCCCCCCOCCCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;s8s13;d14;s15;d16;d13s17;s15;s19;s20;s21;d22;s23;d24;d21s25;s7;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₂N₂O₄
All Atoms:	51
Heavy Atoms:	29
Chiral Atoms:	None

ZAP Information [?]

Total:	9.44949
Area:	566.857
Solvation:	-4.72194
Coulombic:	-54.2049

Bond Count [?]

All:	32
Single:	22
Double:	10
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.06
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