Chemical ID: 6025416

Cc1ccsc1CN(Cc2ccccc2)C(=O)CN(CCCOC)C(=O)C3CCC3
Chemical ID:
6025416
Name [?]:
N-[[benzyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(3-methoxypropyl)cyclobutanecarboxamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccccc2)C(=O)CN(CCCOC)C(=O)C3CCC3
InChi [?]:
InChI=1/C24H32N2O3S/c1-19-12-15-30-22(19)17-26(16-20-8-4-3-5-9-20)23(27)18-25(13-7-14-29-2)24(28)21-10-6-11-21/h3-5,8-9,12,15,21H,6-7,10-11,13-14,16-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,13,12,14,29,21,11,15,28,30,3,20,22,4,9,7,18,2,10,27,6,16,25,19,8,17,26,23,5/E:(4,5)(8,9)(10,11)/rA:30nCCCCSCCNCCCCCCCCOCNCCCOCCOCCCC/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;s27s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H32N2O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.2026
Area:660.389
Solvation:-5.3071
Coulombic:-41.8277
Bond Count [?]
All:32
Single:25
Double:7
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:428.589
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.74
LogP (Chemaxon):3.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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