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Chemical ID: 7666007

c1cc2c(cc1C3CC(=O)N(C4=C3C(=O)CCC4)c5c(c6c(s5)CCCCC6)C#N)OCO2

Chemical ID:

7666007

Name [?]:

None

SMILES [?]:

c1cc2c(cc1C3CC(=O)N(C4=C3C(=O)CCC4)c5c(c6c(s5)CCCCC6)C#N)OCO2

InChi [?]:

InChI=1/C26H24N2O4S/c27-13-18-16-5-2-1-3-8-23(16)33-26(18)28-19-6-4-7-20(29)25(19)17(12-24(28)30)15-9-10-21-22(11-15)32-14-31-21/h9-11,17H,1-8,12,14H2

InChi Info:

AuxInfo=1/0/N:26,27,25,17,28,18,16,24,1,2,5,8,29,32,6,21,7,20,12,14,3,4,22,9,13,19,30,11,15,10,33,31,23/rA:33cCCCCCCCCCONCCCOCCCCCCCSCCCCCCNOCO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s7d12;s13;d14;s14;s16;s12s17;s11;d19;s20;d21;s19s22;s22;s24;s25;s26;s21s27;s20;t29;s4;s31;s3s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₄N₂O₄S
All Atoms:	57
Heavy Atoms:	33
Chiral Atoms:	None

ZAP Information [?]

Total:	10.7917
Area:	635.953
Solvation:	-5.1071
Coulombic:	-41.6315

Bond Count [?]

All:	38
Single:	29
Double:	8
Rotors:	2
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.36
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