Chemical ID: 6314588

CCn1c(csc1=Nc2ccc(c(c2)C)C)c3ccc(cc3)S(=O)(=O)N4CCCCC4
Chemical ID:
6314588
Name [?]:
N-(3,4-dimethylphenyl)-3-ethyl-4-[4-(1-piperidylsulfonyl)phenyl]-thiazol-2-imine
SMILES [?]:
CCn1c(csc1=Nc2ccc(c(c2)C)C)c3ccc(cc3)S(=O)(=O)N4CCCCC4
InChi [?]:
InChI=1/C24H29N3O2S2/c1-4-27-23(17-30-24(27)25-21-11-8-18(2)19(3)16-21)20-9-12-22(13-10-20)31(28,29)26-14-6-5-7-15-26/h8-13,16-17H,4-7,14-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,15,2,29,28,30,11,18,22,10,19,21,27,31,14,5,12,13,17,9,20,4,7,8,26,3,24,25,6,23/E:(6,7)(9,10)(12,13)(14,15)(28,29)/CRV:31.6/rA:31nCCNCCSCNCCCCCCCCCCCCCCSOONCCCCC/rB:s1;s2;s3;d4;s5;s3s6;w7;s8;s9;d10;s11;d12;d9s13;s13;s12;s4;s17;d18;s19;d20;d17s21;s20;d23;d23;s23;s26;s27;s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H29N3O2S2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.4415
Area:649.083
Solvation:-2.7856
Coulombic:-22.0899
Bond Count [?]
All:34
Single:24
Double:10
Rotors:5
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:455.638
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.0
LogP (Chemaxon):6.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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