Chemical ID: 5916223

Cc1ccc(s1)CN(Cc2ccccc2)C(=O)CN(CCOC)C(=O)Cc3ccc(cc3)F
Chemical ID:
5916223
Name [?]:
N-benzyl-2-[[2-(4-fluorophenyl)acetyl]-(2-methoxyethyl)amino]-N-[(5-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
Cc1ccc(s1)CN(Cc2ccccc2)C(=O)CN(CCOC)C(=O)Cc3ccc(cc3)F
InChi [?]:
InChI=1/C26H29FN2O3S/c1-20-8-13-24(33-20)18-29(17-22-6-4-3-5-7-22)26(31)19-28(14-15-32-2)25(30)16-21-9-11-23(27)12-10-21/h3-13H,14-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,13,12,14,11,15,3,28,32,29,31,4,20,21,26,9,7,18,2,27,10,30,5,24,16,33,19,8,25,17,22,6/E:(4,5)(6,7)(9,10)(11,12)/rA:33nCCCCCSCNCCCCCCCCOCNCCOCCOCCCCCCCF/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;s21;s22;s19;d24;s24;s26;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H29FN2O3S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.6724
Area:710.465
Solvation:-6.08926
Coulombic:-46.6018
Bond Count [?]
All:35
Single:25
Double:10
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:468.585
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.0
LogP (Chemaxon):3.42

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Descriptor Annotations

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