Chemical ID: 6024856

CCCCOc1ccc(cc1)C(=O)N(CCC)CC(=O)N(Cc2ccc(cc2)F)Cc3c(ccs3)C
Chemical ID:
6024856
Name [?]:
4-butoxy-N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-propyl-benzamide
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)N(CCC)CC(=O)N(Cc2ccc(cc2)F)Cc3c(ccs3)C
InChi [?]:
InChI=1/C29H35FN2O3S/c1-4-6-17-35-26-13-9-24(10-14-26)29(34)31(16-5-2)21-28(33)32(20-27-22(3)15-18-36-27)19-23-7-11-25(30)12-8-23/h7-15,18H,4-6,16-17,19-21H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,36,2,16,3,24,28,8,10,25,27,7,11,33,15,4,34,22,30,18,32,23,9,26,6,31,19,12,29,14,21,20,13,5,35/E:(7,8)(9,10)(11,12)(13,14)/rA:36nCCCCOCCCCCCCONCCCCCONCCCCCCCFCCCCCSC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s14;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s26;s21;s30;d31;s32;d33;s31s34;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H35FN2O3S
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:12.8018
Area:723.734
Solvation:-5.29158
Coulombic:-48.1976
Bond Count [?]
All:38
Single:28
Double:10
Rotors:15
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:510.664
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.72
LogP (Chemaxon):5.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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