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Chemical ID: 5839370
Chemical ID:
5839370
Name [?]:
1-(acetyl-(2-thienylmethyl)amino)-N-cyclopentyl-cyclohexane-1-carboxamide
SMILES [?]:
CC(=O)N(Cc1cccs1)C2(CCCCC2)C(=O)NC3CCCC3
InChi [?]:
InChI=1/C19H28N2O2S/c1-15(22)21(14-17-10-7-13-24-17)19(11-5-2-6-12-19)18(23)20-16-8-3-4-9-16/h7,10,13,16H,2-6,8-9,11-12,14H2,1H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,14,22,23,13,15,8,21,24,7,12,16,9,5,2,20,6,17,11,19,4,3,18,10/E:(3,4)(5,6)(8,9)(11,12)/rA:24nCCONCCCCCSCCCCCCCONCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;s6s9;s4;s11;s12;s13;s14;s11s15;s11;d17;s17;s19;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H28N2O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.84008 |
Area: | 505.258 |
Solvation: | -2.79136 |
Coulombic: | -39.0683 |
Bond Count [?]
All: | 26 |
Single: | 22 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 348.504 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.64 |
LogP (Chemaxon): | 2.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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