Chemical ID: 6025385

Cc1ccsc1CN(Cc2ccccc2)C(=O)CN(CCCOC)C(=O)CCC3CCCC3
Chemical ID:
6025385
Name [?]:
N-[[benzyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-3-cyclopentyl-N-(3-methoxypropyl)propanamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccccc2)C(=O)CN(CCCOC)C(=O)CCC3CCCC3
InChi [?]:
InChI=1/C27H38N2O3S/c1-22-15-18-33-25(22)20-29(19-24-11-4-3-5-12-24)27(31)21-28(16-8-17-32-2)26(30)14-13-23-9-6-7-10-23/h3-5,11-12,15,18,23H,6-10,13-14,16-17,19-21H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,13,12,14,31,32,21,30,33,11,15,28,27,3,20,22,4,9,7,18,2,29,10,6,25,16,19,8,26,17,23,5/E:(4,5)(6,7)(9,10)(11,12)/rA:33nCCCCSCCNCCCCCCCCOCNCCCOCCOCCCCCCC/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;s28;s29;s30;s31;s29s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H38N2O3S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:13.1029
Area:743.4
Solvation:-5.48213
Coulombic:-42.47
Bond Count [?]
All:35
Single:28
Double:7
Rotors:15
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:470.668
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.66
LogP (Chemaxon):3.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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