Chemical ID: 6025428

Cc1ccsc1CN(Cc2ccccc2)C(=O)CN(CCCOC)C(=O)c3ccc(cc3)C(F)(F)F
Chemical ID:
6025428
Name [?]:
N-[[benzyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(3-methoxypropyl)-4-(trifluoromethyl)benzamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccccc2)C(=O)CN(CCCOC)C(=O)c3ccc(cc3)C(F)(F)F
InChi [?]:
InChI=1/C27H29F3N2O3S/c1-20-13-16-36-24(20)18-32(17-21-7-4-3-5-8-21)25(33)19-31(14-6-15-35-2)26(34)22-9-11-23(12-10-22)27(28,29)30/h3-5,7-13,16H,6,14-15,17-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,13,12,14,21,11,15,28,32,29,31,3,20,22,4,9,7,18,2,10,27,30,6,16,25,33,34,35,36,19,8,17,26,23,5/E:(4,5)(7,8)(9,10)(11,12)(28,29,30)/rA:36nCCCCSCCNCCCCCCCCOCNCCCOCCOCCCCCCCFFF/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;s21;s22;s23;s19;d25;s25;s27;d28;s29;d30;d27s31;s30;s33;s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H29F3N2O3S
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:11.7154
Area:690.482
Solvation:-5.54666
Coulombic:-63.2671
Bond Count [?]
All:38
Single:28
Double:10
Rotors:14
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:518.592
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.6
LogP (Chemaxon):4.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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