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Chemical ID: 3969053

Cc1c(c2cccc3c2n1C(CO3)CN4CCOCC4)C(=O)c5cccc6c5cccc6

Chemical ID:

3969053

Name [?]:

None

SMILES [?]:

Cc1c(c2cccc3c2n1C(CO3)CN4CCOCC4)C(=O)c5cccc6c5cccc6

InChi [?]:

InChI=1/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3

InChi Info:

AuxInfo=1/0/N:1,31,30,25,6,32,26,29,24,5,7,16,20,17,19,14,12,2,27,11,28,23,4,8,3,9,21,15,10,22,18,13/E:(12,13)(14,15)/rA:32cCCCCCCCCCNCCOCNCCOCCCOCCCCCCCCCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s10;s11;s8s12;s11;s14;s15;s16;s17;s18;s15s19;s3;d21;s21;s23;d24;s25;d26;d23s27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₆N₂O₃
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	11.1235
Area:	624.318
Solvation:	-4.48446
Coulombic:	-38.965

Bond Count [?]

All:	37
Single:	27
Double:	10
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	426.507
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.65
LogP (Chemaxon):	4.21

Name Annotations

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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