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Chemical ID: 7712918

COc1ccc(c(c1)OC)N=c2c(cc3cc4c5c(c3o2)CCCN5CCC4)C(=O)Nc6ccccc6OC

Chemical ID:

7712918

Name [?]:

None

SMILES [?]:

COc1ccc(c(c1)OC)N=c2c(cc3cc4c5c(c3o2)CCCN5CCC4)C(=O)Nc6ccccc6OC

InChi [?]:

InChI=1/C31H31N3O5/c1-36-21-12-13-25(27(18-21)38-3)33-31-23(30(35)32-24-10-4-5-11-26(24)37-2)17-20-16-19-8-6-14-34-15-7-9-22(28(19)34)29(20)39-31/h4-5,10-13,16-18H,6-9,14-15H2,1-3H3,(H,32,35)

InChi Info:

AuxInfo=1/1/N:1,39,10,34,35,27,23,28,22,33,36,4,5,26,24,16,14,8,17,15,3,19,13,32,6,37,7,18,20,29,12,31,11,25,30,2,38,9,21/rA:39cCOCCCCCCOCNCCCCCCCCCOCCCNCCCCONCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;w11;s12;d13;s14;s15;d16;s17;d18;d15s19;s12s20;s19;s22;s23;s18s24;s25;s26;s17s27;s13;d29;s29;s31;s32;d33;s34;d35;d32s36;s37;s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₁H₃₁N₃O₅
All Atoms:	70
Heavy Atoms:	39
Chiral Atoms:	None

ZAP Information [?]

Total:	10.3249
Area:	681.335
Solvation:	-6.70842
Coulombic:	-64.002

Bond Count [?]

All:	44
Single:	32
Double:	12
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.68
LogP (Chemaxon):	None

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