Chemical ID: 6024783

CCc1ccc(cc1)C(=O)N(CC(=O)N(Cc2ccc(cc2)F)Cc3c(ccs3)C)C(C)CC
Chemical ID:
6024783
Name [?]:
4-ethyl-N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-sec-butyl-benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)N(CC(=O)N(Cc2ccc(cc2)F)Cc3c(ccs3)C)C(C)CC
InChi [?]:
InChI=1/C28H33FN2O2S/c1-5-21(4)31(28(33)24-11-7-22(6-2)8-12-24)19-27(32)30(18-26-20(3)15-16-34-26)17-23-9-13-25(29)14-10-23/h7-16,21H,5-6,17-19H2,1-4H3
InChi Info:
AuxInfo=1/0/N:34,1,30,32,33,2,4,8,18,22,5,7,19,21,27,28,16,24,12,26,31,3,17,6,20,25,13,9,23,15,11,14,10,29/E:(7,8)(9,10)(11,12)(13,14)/rA:34cCCCCCCCCCONCCONCCCCCCCFCCCCCSCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s20;s15;s24;d25;s26;d27;s25s28;s26;s11;s31;s31;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H33FN2O2S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:12.224
Area:645.767
Solvation:-3.92016
Coulombic:-40.9692
Bond Count [?]
All:36
Single:26
Double:10
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:480.638
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.81
LogP (Chemaxon):6.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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