Chemical ID: 7027464

CCc1ccc(cc1)CC2C(=O)NC(=Nc3ccccn3)S2
Chemical ID:
7027464
Name [?]:
5-[(4-ethylphenyl)methyl]-2-(2-pyridylimino)thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)CC2C(=O)NC(=Nc3ccccn3)S2
InChi [?]:
InChI=1/C17H17N3OS/c1-2-12-6-8-13(9-7-12)11-14-16(21)20-17(22-14)19-15-5-3-4-10-18-15/h3-10,14H,2,11H2,1H3,(H,18,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,18,19,17,4,8,5,7,20,9,3,6,10,16,11,14,21,15,13,12,22/E:(6,7)(8,9)/rA:22cCCCCCCCCCCCONCNCCCCCNS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17N3OS
All Atoms:39
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:10.7654
Area:519.289
Solvation:-2.21677
Coulombic:-34.3604
Bond Count [?]
All:24
Single:16
Double:8
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:311.402
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.07
LogP (Chemaxon):4.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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