Chemical ID: 6026898

CCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C)C(=O)NCC
Chemical ID:
6026898
Name [?]:
2-(ethylcarbamoyl-propyl-amino)-N-[(4-fluorophenyl)methyl]-N-[(3-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
CCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C)C(=O)NCC
InChi [?]:
InChI=1/C21H28FN3O2S/c1-4-11-24(21(27)23-5-2)15-20(26)25(14-19-16(3)10-12-28-19)13-17-6-8-18(22)9-7-17/h6-10,12H,4-5,11,13-15H2,1-3H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,28,23,2,27,11,15,12,14,20,3,21,9,17,5,19,10,13,18,6,24,16,26,4,8,7,25,22/E:(6,7)(8,9)/rA:28nCCCNCCONCCCCCCCFCCCCCSCCONCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;s17;d18;s19;d20;s18s21;s19;s4;d24;s24;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H28FN3O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.4394
Area:626.136
Solvation:-4.21404
Coulombic:-52.4456
Bond Count [?]
All:29
Single:22
Double:7
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:405.53
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.8
LogP (Chemaxon):3.33

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Descriptor Annotations

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