Chemical ID: 6023399

CC(C)N(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C(=O)C34CC5CC(C3)CC(C5)C4
Chemical ID:
6023399
Name [?]:
N-[[(4-fluorophenyl)methyl-(2-thienylmethyl)carbamoyl]methyl]-N-isopropyl-adamantane-1-carboxamide
SMILES [?]:
CC(C)N(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C(=O)C34CC5CC(C3)CC(C5)C4
InChi [?]:
InChI=1/C28H35FN2O2S/c1-19(2)31(27(33)28-13-21-10-22(14-28)12-23(11-21)15-28)18-26(32)30(17-25-4-3-9-34-25)16-20-5-7-24(29)8-6-20/h3-9,19,21-23H,10-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,20,19,11,15,12,14,21,28,31,33,30,26,34,9,17,5,2,10,29,27,32,13,18,6,23,25,16,8,4,7,24,22/E:(1,2)(5,6)(7,8)(10,11,12)(13,14,15)(21,22,23)/rA:34nCCCNCCONCCCCCCCFCCCCCSCOCCCCCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;s17;d18;s19;d20;s18s21;s4;d23;s23;s25;s26;s27;s28;s25s29;s29;s31;s27s32;s25s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H35FN2O2S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:11.6726
Area:630.515
Solvation:-4.09028
Coulombic:-39.1885
Bond Count [?]
All:38
Single:31
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:482.654
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.65
LogP (Chemaxon):5.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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