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Chemical ID: 5920728
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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