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Chemical ID: 5801140

Cc1ccc(cc1[N+](=O)[O-])C=C2C(=O)N(C(=Nc3ccccc3)S2)c4ccccc4

Chemical ID:

5801140

Name [?]:

5-[(4-methyl-3-nitro-phenyl)methylene]-3-phenyl-2-phenylimino-thiazolidin-4-one

SMILES [?]:

Cc1ccc(cc1[N+](=O)[O-])C=C2C(=O)N(C(=Nc3ccccc3)S2)c4ccccc4

InChi [?]:

InChI=1/C23H17N3O3S/c1-16-12-13-17(14-20(16)26(28)29)15-21-22(27)25(19-10-6-3-7-11-19)23(30-21)24-18-8-4-2-5-9-18/h2-15H,1H3

InChi Info:

AuxInfo=1/0/N:1,21,28,20,22,27,29,19,23,26,30,3,4,6,11,2,5,18,25,7,12,13,16,17,15,8,14,9,10,24/E:(4,5)(6,7)(8,9)(10,11)(28,29)/CRV:26.5/rA:30nCCCCCCCN+OO-CCCONCNCCCCCCSCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s5;w11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s12s16;s15;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₇N₃O₃S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	7.31287
Area:	574.033
Solvation:	-7.03796
Coulombic:	-39.0872

Bond Count [?]

All:	33
Single:	20
Double:	13
Rotors:	4
Chiral:	2
Rigid Segments:	5

Chemical Properties

Molecular Weight:	415.466
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	4.79
LogP (Chemaxon):	6.7

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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