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Chemical ID: 7704973

COc1ccc(cc1)C(=O)NCC(=O)NN=Cc2ccc(c(c2)OC)OC(=O)c3ccc(cc3)Cl

Chemical ID:

7704973

Name [?]:

None

SMILES [?]:

COc1ccc(cc1)C(=O)NCC(=O)NN=Cc2ccc(c(c2)OC)OC(=O)c3ccc(cc3)Cl

InChi [?]:

InChI=1/C25H22ClN3O6/c1-33-20-10-6-17(7-11-20)24(31)27-15-23(30)29-28-14-16-3-12-21(22(13-16)34-2)35-25(32)18-4-8-19(26)9-5-18/h3-14H,15H2,1-2H3,(H,27,31)(H,29,30)

InChi Info:

AuxInfo=1/1/N:1,25,19,30,34,5,7,31,33,4,8,20,23,17,12,18,6,29,32,3,21,22,13,9,27,35,11,16,15,14,10,28,2,24,26/E:(4,5)(6,7)(8,9)(10,11)/rA:35nCOCCCCCCCONCCONNCCCCCCCOCOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;d27;s27;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₂ClN₃O₆
All Atoms:	57
Heavy Atoms:	35
Chiral Atoms:	None

ZAP Information [?]

Total:	11.766
Area:	783.715
Solvation:	-7.82684
Coulombic:	-75.3503

Bond Count [?]

All:	37
Single:	24
Double:	13
Rotors:	12
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.85
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