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Chemical ID: 4563327

CC(C)Oc1ccc(cc1OC)C2c3c(c4ccccc4[nH]3)CC(N2C(=O)C)C(=O)OC

Chemical ID:

4563327

Name [?]:

None

SMILES [?]:

CC(C)Oc1ccc(cc1OC)C2c3c(c4ccccc4[nH]3)CC(N2C(=O)C)C(=O)OC

InChi [?]:

InChI=1/C25H28N2O5/c1-14(2)32-21-11-10-16(12-22(21)30-4)24-23-18(17-8-6-7-9-19(17)26-23)13-20(25(29)31-5)27(24)15(3)28/h6-12,14,20,24,26H,13H2,1-5H3

InChi Info:

AuxInfo=1/0/N:1,3,28,12,32,18,19,17,20,7,6,9,23,2,26,8,16,15,21,24,5,10,14,13,29,22,25,27,30,11,31,4/E:(1,2)/rA:32cCCCOCCCCCCOCCCCCCCCCCNCCNCOCCOOC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;s13;d14;s15;s16;d17;s18;d19;d16s20;s14s21;s15;s23;s13s24;s25;d26;s26;s24;d29;s29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₈N₂O₅
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	2

ZAP Information [?]

Total:	8.986
Area:	638.661
Solvation:	-6.98053
Coulombic:	-59.9888

Bond Count [?]

All:	35
Single:	26
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	436.5
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	3.31
LogP (Chemaxon):	3.25

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