Chemical ID: 6024973

CCc1ccc(cc1)C(=O)N(CC2CCCO2)CC(=O)N(Cc3ccc(cc3)F)Cc4c(ccs4)C
Chemical ID:
6024973
Name [?]:
4-ethyl-N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(tetrahydrofuran-2-ylmethyl)benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)N(CC2CCCO2)CC(=O)N(Cc3ccc(cc3)F)Cc4c(ccs4)C
InChi [?]:
InChI=1/C29H33FN2O3S/c1-3-22-6-10-24(11-7-22)29(34)32(18-26-5-4-15-35-26)20-28(33)31(19-27-21(2)14-16-36-27)17-23-8-12-25(30)13-9-23/h6-14,16,26H,3-5,15,17-20H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,36,2,15,14,4,8,24,28,5,7,25,27,33,16,34,22,12,30,18,32,3,23,6,26,13,31,19,9,29,21,11,20,10,17,35/E:(6,7)(8,9)(10,11)(12,13)/rA:36cCCCCCCCCCONCCCCCOCCONCCCCCCCFCCCCCSC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s15;s13s16;s11;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s26;s21;s30;d31;s32;d33;s31s34;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H33FN2O3S
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:12.3443
Area:694.05
Solvation:-5.00699
Coulombic:-49.0325
Bond Count [?]
All:39
Single:29
Double:10
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:508.648
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.92
LogP (Chemaxon):5.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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