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Chemical ID: 7667213

COCCCn1c(nnc1SCC(=O)Nc2ccc(cc2)OC)c3ccncc3

Chemical ID:

7667213

Name [?]:

None

SMILES [?]:

COCCCn1c(nnc1SCC(=O)Nc2ccc(cc2)OC)c3ccncc3

InChi [?]:

InChI=1/C20H23N5O3S/c1-27-13-3-12-25-19(15-8-10-21-11-9-15)23-24-20(25)29-14-18(26)22-16-4-6-17(28-2)7-5-16/h4-11H,3,12-14H2,1-2H3,(H,22,26)

InChi Info:

AuxInfo=1/1/N:1,23,4,17,21,18,20,25,29,26,28,5,3,12,24,16,19,13,7,10,27,15,8,9,6,14,2,22,11/E:(4,5)(6,7)(8,9)(10,11)/rA:29nCOCCCNCNNCSCCONCCCCCCOCCCCNCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;s6d9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;s22;s7;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₃N₅O₃S
All Atoms:	52
Heavy Atoms:	29
Chiral Atoms:	None

ZAP Information [?]

Total:	10.0167
Area:	660.926
Solvation:	-6.50647
Coulombic:	-50.5665

Bond Count [?]

All:	31
Single:	22
Double:	9
Rotors:	11
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.36
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