Chemical ID: 6026044

COc1ccccc1NC(=O)N(CC(=O)N(Cc2ccc(cc2)F)Cc3cccs3)C4CC4
Chemical ID:
6026044
Name [?]:
2-[cyclopropyl-[(2-methoxyphenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-(2-thienylmethyl)acetamide
SMILES [?]:
COc1ccccc1NC(=O)N(CC(=O)N(Cc2ccc(cc2)F)Cc3cccs3)C4CC4
InChi [?]:
InChI=1/C25H26FN3O3S/c1-32-23-7-3-2-6-22(23)27-25(31)29(20-12-13-20)17-24(30)28(16-21-5-4-14-33-21)15-18-8-10-19(26)11-9-18/h2-11,14,20H,12-13,15-17H2,1H3,(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,6,5,28,27,7,4,19,23,20,22,32,33,29,17,25,13,18,21,31,26,8,3,14,10,24,9,16,12,15,11,2,30/E:(8,9)(10,11)(12,13)/rA:33nCOCCCCCCNCONCCONCCCCCCCFCCCCCSCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s21;s16;s25;d26;s27;d28;s26s29;s12;s31;s31s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H26FN3O3S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.3537
Area:676.344
Solvation:-5.55486
Coulombic:-60.0281
Bond Count [?]
All:36
Single:26
Double:10
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:467.557
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.47
LogP (Chemaxon):4.02

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Descriptor Annotations

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