Chemical ID: 5920728

c1ccc(cc1)CN(Cc2cccs2)C(=O)CN(Cc3ccco3)C(=O)C4CCCC4
Chemical ID:
5920728
Name [?]:
N-[(benzyl-(2-thienylmethyl)carbamoyl)methyl]-N-(2-furylmethyl)cyclopentanecarboxamide
SMILES [?]:
c1ccc(cc1)CN(Cc2cccs2)C(=O)CN(Cc3ccco3)C(=O)C4CCCC4
InChi [?]:
InChI=1/C25H28N2O3S/c28-24(26(18-23-13-7-15-31-23)16-20-8-2-1-3-9-20)19-27(17-22-12-6-14-30-22)25(29)21-10-4-5-11-21/h1-3,6-9,12-15,21H,4-5,10-11,16-19H2
InChi Info:
AuxInfo=1/0/N:1,2,6,29,30,22,12,3,5,28,31,21,11,23,13,7,19,9,17,4,27,20,10,15,25,8,18,16,26,24,14/E:(2,3)(4,5)(8,9)(10,11)/rA:31nCCCCCCCNCCCCCSCOCNCCCCCOCOCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;s10s13;s8;d15;s15;s17;s18;s19;d20;s21;d22;s20s23;s18;d25;s25;s27;s28;s29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H28N2O3S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.5296
Area:637.378
Solvation:-4.40484
Coulombic:-42.0076
Bond Count [?]
All:34
Single:25
Double:9
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:436.568
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.4
LogP (Chemaxon):3.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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