ChemDB: Chemical Search
Download
Chemical ID: 5938485
Chemical ID:
5938485
Name [?]:
N-[4-(2-pyrrolidin-1-ylthiazol-4-yl)phenyl]-4-tert-butyl-benzamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(cc2)c3csc(n3)N4CCCC4
InChi [?]:
InChI=1/C24H27N3OS/c1-24(2,3)19-10-6-18(7-11-19)22(28)25-20-12-8-17(9-13-20)21-16-29-23(26-21)27-14-4-5-15-27/h6-13,16H,4-5,14-15H2,1-3H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,3,4,27,28,7,9,16,18,6,10,15,19,26,29,21,17,8,5,14,20,11,23,2,13,24,25,12,22/E:(1,2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:29nCCCCCCCCCCCONCCCCCCCCSCNNCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;d20;s21;s22;s20d23;s23;s25;s26;s27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27N3OS |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.4177 |
Area: | 648.577 |
Solvation: | -2.79669 |
Coulombic: | -36.9054 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 405.557 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.36 |
LogP (Chemaxon): | 6.66 |
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 |
---|