Chemical ID: 6026016

CCCCNC(=O)N(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C3CC3
Chemical ID:
6026016
Name [?]:
2-(butylcarbamoyl-cyclopropyl-amino)-N-[(4-fluorophenyl)methyl]-N-(2-thienylmethyl)acetamide
SMILES [?]:
CCCCNC(=O)N(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C3CC3
InChi [?]:
InChI=1/C22H28FN3O2S/c1-2-3-12-24-22(28)26(19-10-11-19)16-21(27)25(15-20-5-4-13-29-20)14-17-6-8-18(23)9-7-17/h4-9,13,19H,2-3,10-12,14-16H2,1H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,2,3,24,23,15,19,16,18,28,29,4,25,13,21,9,14,17,27,22,10,6,20,5,12,8,11,7,26/E:(6,7)(8,9)(10,11)/rA:29nCCCCNCONCCONCCCCCCCFCCCCCSCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;s12;s21;d22;s23;d24;s22s25;s8;s27;s27s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H28FN3O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.6524
Area:640.487
Solvation:-4.35974
Coulombic:-52.6468
Bond Count [?]
All:31
Single:24
Double:7
Rotors:13
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:417.541
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.34
LogP (Chemaxon):3.32

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Descriptor Annotations

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