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Chemical ID: 3914740
Chemical ID:
3914740
Name [?]:
2-[benzyl-[2-(2-thienyl)acetyl]-amino]-N-cyclopentyl-2-(2-thienyl)acetamide
SMILES [?]:
c1ccc(cc1)CN(C(c2cccs2)C(=O)NC3CCCC3)C(=O)Cc4cccs4
InChi [?]:
InChI=1/C24H26N2O2S2/c27-22(16-20-12-6-14-29-20)26(17-18-8-2-1-3-9-18)23(21-13-7-15-30-21)24(28)25-19-10-4-5-11-19/h1-3,6-9,12-15,19,23H,4-5,10-11,16-17H2,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,21,28,12,3,5,19,22,27,11,29,13,25,7,4,18,26,10,23,9,15,17,8,24,16,30,14/E:(2,3)(4,5)(8,9)(10,11)/rA:30cCCCCCCCNCCCCCSCONCCCCCCOCCCCCS/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;s10s13;s9;d15;s15;s17;s18;s19;s20;s18s21;s8;d23;s23;s25;d26;s27;d28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H26N2O2S2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.7079 |
Area: | 645.07 |
Solvation: | -3.41885 |
Coulombic: | -41.7524 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 438.608 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.22 |
LogP (Chemaxon): | 4.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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