ChemDB: Chemical Search
Download
Chemical ID: 6026695
Chemical ID:
6026695
Name [?]:
2-(ethylcarbamoyl-(2-morpholinoethyl)amino)-N-[(4-fluorophenyl)methyl]-N-[(3-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
CCNC(=O)N(CCN1CCOCC1)CC(=O)N(Cc2ccc(cc2)F)Cc3c(ccs3)C
InChi [?]:
InChI=1/C24H33FN4O3S/c1-3-26-24(31)28(10-9-27-11-13-32-14-12-27)18-23(30)29(17-22-19(2)8-15-33-22)16-20-4-6-21(25)7-5-20/h4-8,15H,3,9-14,16-18H2,1-2H3,(H,26,31)
InChi Info:
AuxInfo=1/1/N:1,33,2,21,25,22,24,30,8,7,10,14,11,13,31,19,27,15,29,20,23,28,16,4,26,3,9,6,18,17,5,12,32/E:(4,5)(6,7)(11,12)(13,14)/rA:33nCCNCONCCNCCOCCCCONCCCCCCCFCCCCCSC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s9s13;s6;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s23;s18;s27;d28;s29;d30;s28s31;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H33FN4O3S |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1888 |
Area: | 692.207 |
Solvation: | -6.11633 |
Coulombic: | -64.4696 |
Bond Count [?]
All: | 35 |
Single: | 28 |
Double: | 7 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 476.608 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 1.47 |
LogP (Chemaxon): | 2.16 |
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 |
---|