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Chemical ID: 6531511

Cc1c(c(=O)c2ccc(cc2o1)OC(=O)CNC(=O)OC(C)(C)C)c3ccccc3

Chemical ID:

6531511

Name [?]:

(2-methyl-4-oxo-3-phenyl-chromen-7-yl) 2-tert-butoxycarbonylaminoacetate

SMILES [?]:

Cc1c(c(=O)c2ccc(cc2o1)OC(=O)CNC(=O)OC(C)(C)C)c3ccccc3

InChi [?]:

InChI=1/C23H23NO6/c1-14-20(15-8-6-5-7-9-15)21(26)17-11-10-16(12-18(17)28-14)29-19(25)13-24-22(27)30-23(2,3)4/h5-12H,13H2,1-4H3,(H,24,27)

InChi Info:

AuxInfo=1/1/N:1,22,23,24,28,27,29,26,30,8,7,10,16,2,25,9,6,11,14,3,4,18,21,17,15,5,19,12,13,20/E:(2,3,4)(6,7)(8,9)/rA:30nCCCCOCCCCCCOOCOCNCOOCCCCCCCCCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s9;s13;d14;s14;s16;s17;d18;s18;s20;s21;s21;s21;s3;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	12.4707
Area:	648.875
Solvation:	-3.75117
Coulombic:	-69.1279

Bond Count [?]

All:	32
Single:	22
Double:	10
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	409.432
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	4.2
LogP (Chemaxon):	3.75

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