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Chemical ID: 6026188
Chemical ID:
6026188
Name [?]:
2-(ethylcarbamoyl-(3-methoxypropyl)amino)-N-[(4-fluorophenyl)methyl]-N-(2-thienylmethyl)acetamide
SMILES [?]:
CCNC(=O)N(CCCOC)CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2
InChi [?]:
InChI=1/C21H28FN3O3S/c1-3-23-21(27)24(11-5-12-28-2)16-20(26)25(15-19-6-4-13-29-19)14-17-7-9-18(22)10-8-17/h4,6-10,13H,3,5,11-12,14-16H2,1-2H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,11,2,27,8,26,18,22,19,21,7,9,28,16,24,12,17,20,25,13,4,23,3,6,15,14,5,10,29/E:(7,8)(9,10)/rA:29nCCNCONCCCOCCCONCCCCCCCFCCCCCS/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s6;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s20;s15;s24;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H28FN3O3S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2118 |
Area: | 648.452 |
Solvation: | -5.99951 |
Coulombic: | -59.2857 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 421.53 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.04 |
LogP (Chemaxon): | 1.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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