Chemical ID: 6468697

CN1C(=O)C(=Cc2ccc(cc2)OCC#N)SC1=Nc3ccccc3
Chemical ID:
6468697
Name [?]:
2-[4-[(3-methyl-4-oxo-2-phenylimino-thiazolidin-5-ylidene)methyl]phenoxy]acetonitrile
SMILES [?]:
CN1C(=O)C(=Cc2ccc(cc2)OCC#N)SC1=Nc3ccccc3
InChi [?]:
InChI=1/C19H15N3O2S/c1-22-18(23)17(25-19(22)21-15-5-3-2-4-6-15)13-14-7-9-16(10-8-14)24-12-11-20/h2-10,13H,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,22,24,21,25,8,12,9,11,15,14,6,7,20,10,5,3,18,16,19,2,4,13,17/E:(3,4)(5,6)(7,8)(9,10)/rA:25nCNCOCCCCCCCCOCCNSCNCCCCCC/rB:s1;s2;d3;s3;w5;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;t15;s5;s2s17;w18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15N3O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.1332
Area:554.696
Solvation:-3.73424
Coulombic:-36.0472
Bond Count [?]
All:27
Single:17
Double:9
Rotors:4
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:349.407
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.64
LogP (Chemaxon):4.22

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Descriptor Annotations

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