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Chemical ID: 7659420

CN(Cc1cccc(c1)Sc2ccc(cc2)OC)c3cc(nc4c3c(cc(c4)Cl)Cl)C(=O)O

Chemical ID:

7659420

Name [?]:

None

SMILES [?]:

CN(Cc1cccc(c1)Sc2ccc(cc2)OC)c3cc(nc4c3c(cc(c4)Cl)Cl)C(=O)O

InChi [?]:

InChI=1/C25H20Cl2N2O3S/c1-29(23-13-22(25(30)31)28-21-12-16(26)11-20(27)24(21)23)14-15-4-3-5-19(10-15)33-18-8-6-17(32-2)7-9-18/h3-13H,14H2,1-2H3,(H,30,31)

InChi Info:

AuxInfo=1/1/N:1,18,6,5,7,13,15,12,16,9,26,28,20,3,4,27,14,11,8,25,23,21,19,24,31,29,30,22,2,32,33,17,10/E:(6,7)(8,9)(30,31)/rA:33cCNCCCCCCCSCCCCCCOCCCCNCCCCCCClClCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;d12;s13;d14;d11s15;s14;s17;s2;s19;d20;s21;d22;d19s23;s24;d25;s26;s23d27;s27;s25;s21;d31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₀Cl₂N₂O₃S
All Atoms:	53
Heavy Atoms:	33
Chiral Atoms:	None

ZAP Information [?]

Total:	13.2578
Area:	703.762
Solvation:	-4.33627
Coulombic:	-50.1324

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.94
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