ChemDB: Chemical Search
Download
Chemical ID: 7027128
Chemical ID:
7027128
Name [?]:
N-[(4-isopropylphenyl)methyleneamino]-4-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-thiazol-2-amine
SMILES [?]:
CC1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3csc(n3)NN=Cc4ccc(cc4)C(C)C
InChi [?]:
InChI=1/C25H30N4O2S2/c1-18(2)21-6-4-20(5-7-21)16-26-28-25-27-24(17-32-25)22-8-10-23(11-9-22)33(30,31)29-14-12-19(3)13-15-29/h4-11,16-19H,12-15H2,1-3H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:32,33,1,26,30,27,29,13,15,12,16,3,7,4,6,24,18,31,2,25,28,14,11,17,20,23,21,22,5,9,10,19,8/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(30,31)/CRV:33.6/rA:33nCCCCNCCSOOCCCCCCCCSCNNNCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;d8;s8;s11;d12;s13;d14;d11s15;s14;d17;s18;s19;s17d20;s20;s22;w23;s24;s25;d26;s27;d28;d25s29;s28;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H30N4O2S2 |
All Atoms: | 63 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 15.1303 |
Area: | 744.638 |
Solvation: | -3.48569 |
Coulombic: | -26.1744 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 482.663 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 7.04 |
LogP (Chemaxon): | 6.52 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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 |
---|