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Chemical ID: 7712926

Cc1ccc(c(c1)N=c2c(cc3cc4c5c(c3o2)CCCN5CCC4)C(=O)Nc6ccccc6OC)OC

Chemical ID:

7712926

Name [?]:

None

SMILES [?]:

Cc1ccc(c(c1)N=c2c(cc3cc4c5c(c3o2)CCCN5CCC4)C(=O)Nc6ccccc6OC)OC

InChi [?]:

InChI=1/C31H31N3O4/c1-19-12-13-27(37-3)25(16-19)33-31-23(30(35)32-24-10-4-5-11-26(24)36-2)18-21-17-20-8-6-14-34-15-7-9-22(28(20)34)29(21)38-31/h4-5,10-13,16-18H,6-9,14-15H2,1-3H3,(H,32,35)

InChi Info:

AuxInfo=1/1/N:1,36,38,31,32,24,20,25,19,30,33,3,4,23,21,7,13,11,2,14,12,16,10,29,6,34,5,15,17,26,9,28,8,22,27,35,37,18/rA:38cCCCCCCCNCCCCCCCCCOCCCNCCCCONCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;d10;s11;s12;d13;s14;d15;d12s16;s9s17;s16;s19;s20;s15s21;s22;s23;s14s24;s10;d26;s26;s28;s29;d30;s31;d32;d29s33;s34;s35;s5;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₁H₃₁N₃O₄
All Atoms:	69
Heavy Atoms:	38
Chiral Atoms:	None

ZAP Information [?]

Total:	10.9519
Area:	673.805
Solvation:	-5.8932
Coulombic:	-57.4084

Bond Count [?]

All:	43
Single:	31
Double:	12
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.2
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