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Chemical ID: 4568083

CCc1cc(=O)oc2c1ccc(c2)OC(=O)CCCNC(=O)OCc3ccccc3

Chemical ID:

4568083

Name [?]:

(4-ethyl-2-oxo-chromen-7-yl) 4-benzyloxycarbonylaminobutanoate

SMILES [?]:

CCc1cc(=O)oc2c1ccc(c2)OC(=O)CCCNC(=O)OCc3ccccc3

InChi [?]:

InChI=1/C23H23NO6/c1-2-17-13-22(26)30-20-14-18(10-11-19(17)20)29-21(25)9-6-12-24-23(27)28-15-16-7-4-3-5-8-16/h3-5,7-8,10-11,13-14H,2,6,9,12,15H2,1H3,(H,24,27)

InChi Info:

AuxInfo=1/1/N:1,2,28,27,29,18,26,30,17,11,10,19,4,13,24,25,3,12,9,8,15,5,21,20,16,6,22,23,14,7/E:(4,5)(7,8)/rA:30nCCCCCOOCCCCCCOCOCCCNCOOCCCCCCC/rB:s1;s2;d3;s4;d5;s5;s7;s3s8;d9;s10;d11;d8s12;s12;s14;d15;s15;s17;s18;s19;s20;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₃NO₆
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.6042
Area:	684.714
Solvation:	-4.51365
Coulombic:	-71.1301

Bond Count [?]

All:	32
Single:	22
Double:	10
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	409.432
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	3.95
LogP (Chemaxon):	4.23

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