ChemDB: Chemical Search
Download
Chemical ID: 6033556
Chemical ID:
6033556
Name [?]:
N-cyclopropyl-N-[[4-(1-phenylethylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]cyclohexanecarboxamide
SMILES [?]:
CC(c1ccccc1)NC(=O)Cc2csc(n2)NC(=O)CN(C3CC3)C(=O)C4CCCCC4
InChi [?]:
InChI=1/C25H32N4O3S/c1-17(18-8-4-2-5-9-18)26-22(30)14-20-16-33-25(27-20)28-23(31)15-29(21-12-13-21)24(32)19-10-6-3-7-11-19/h2,4-5,8-9,16-17,19,21H,3,6-7,10-15H2,1H3,(H,26,30)(H,27,28,31)
InChi Info:
AuxInfo=1/1/N:1,6,31,5,7,30,32,4,8,29,33,24,25,12,21,14,2,3,28,13,23,10,19,26,16,9,17,18,22,11,20,27,15/E:(4,5)(6,7)(8,9)(10,11)(12,13)/rA:33cCCCCCCCCNCOCCCSCNNCOCNCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;d13;s14;s15;s13d16;s16;s18;d19;s19;s21;s22;s23;s23s24;s22;d26;s26;s28;s29;s30;s31;s28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H32N4O3S |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.3958 |
Area: | 727.24 |
Solvation: | -5.78519 |
Coulombic: | -62.0314 |
Bond Count [?]
All: | 36 |
Single: | 28 |
Double: | 8 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 468.613 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.4 |
LogP (Chemaxon): | 3.68 |
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 |
---|