Chemical ID: 6026188

CCNC(=O)N(CCCOC)CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2
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

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Descriptor Annotations

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