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Chemical ID: 6577234

c1ccc(cc1)c2ccc(cc2)Oc3c4cc(sc4ncn3)c5ccccc5

Chemical ID:

6577234

Name [?]:

8-phenyl-2-(4-phenylphenoxy)-7-thia-3,5-diazabicyclo[4.3.0]nona-2,4,8,10-tetraene

SMILES [?]:

c1ccc(cc1)c2ccc(cc2)Oc3c4cc(sc4ncn3)c5ccccc5

InChi [?]:

InChI=1/C24H16N2OS/c1-3-7-17(8-4-1)18-11-13-20(14-12-18)27-23-21-15-22(19-9-5-2-6-10-19)28-24(21)26-16-25-23/h1-16H

InChi Info:

AuxInfo=1/0/N:1,26,2,6,25,27,3,5,24,28,8,12,9,11,16,21,4,7,23,10,15,17,14,19,22,20,13,18/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:28nCCCCCCCCCCCCOCCCCSCNCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;s13;s14;s15;d16;s17;d15s18;s19;d20;d14s21;s17;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₆N₂OS
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	12.8283
Area:	600.967
Solvation:	-2.19587
Coulombic:	-24.5628

Bond Count [?]

All:	32
Single:	19
Double:	13
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	380.463
H-Bond Donors:	0
H-Bond Acceptors:	1
XLogP:	6.27
LogP (Chemaxon):	6.63

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