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Chemical ID: 4570410

Cc1c(ccc2c1oc(=O)c3c2ccc(c3)OC)OC(=O)CCCNC(=O)OCc4ccccc4

Chemical ID:

4570410

Name [?]:

None

SMILES [?]:

Cc1c(ccc2c1oc(=O)c3c2ccc(c3)OC)OC(=O)CCCNC(=O)OCc4ccccc4

InChi [?]:

InChI=1/C27H25NO7/c1-17-23(13-12-21-20-11-10-19(32-2)15-22(20)26(30)35-25(17)21)34-24(29)9-6-14-28-27(31)33-16-18-7-4-3-5-8-18/h3-5,7-8,10-13,15H,6,9,14,16H2,1-2H3,(H,28,31)

InChi Info:

AuxInfo=1/1/N:1,18,33,32,34,23,31,35,22,14,13,5,4,24,16,29,2,30,15,12,6,11,3,20,7,9,26,25,21,10,27,17,28,19,8/E:(4,5)(7,8)/rA:35nCCCCCCCOCOCCCCCCOCOCOCCCNCOOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s6s11;d12;s13;d14;d11s15;s15;s17;s3;s19;d20;s20;s22;s23;s24;s25;d26;s26;s28;s29;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₅NO₇
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	12.7982
Area:	745.148
Solvation:	-5.83053
Coulombic:	-78.5191

Bond Count [?]

All:	38
Single:	26
Double:	12
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	475.49
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	4.94
LogP (Chemaxon):	4.59

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value