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Chemical ID: 6270570

COCCn1c2ccccc2sc1=NC(=O)c3ccc(cc3)c4ccccc4

Chemical ID:

6270570

Name [?]:

N-[3-(2-methoxyethyl)benzothiazol-2-ylidene]-4-phenyl-benzamide

SMILES [?]:

COCCn1c2ccccc2sc1=NC(=O)c3ccc(cc3)c4ccccc4

InChi [?]:

InChI=1/C23H20N2O2S/c1-27-16-15-25-20-9-5-6-10-21(20)28-23(25)24-22(26)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-14H,15-16H2,1H3

InChi Info:

AuxInfo=1/0/N:1,26,25,27,8,9,24,28,7,10,19,21,18,22,4,3,23,20,17,6,11,15,13,14,5,16,2,12/E:(3,4)(7,8)(11,12)(13,14)/rA:28nCOCCNCCCCCCSCNCOCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s5s12;w13;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₀N₂O₂S
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	11.7317
Area:	590.257
Solvation:	-3.02468
Coulombic:	-36.2528

Bond Count [?]

All:	31
Single:	20
Double:	11
Rotors:	6
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	388.483
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	5.6
LogP (Chemaxon):	6.14

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value