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Chemical ID: 5916610
Chemical ID:
5916610
Name [?]:
N-[[benzyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-cyclohexyl-3-methyl-butanamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccccc2)C(=O)CN(C3CCCCC3)C(=O)CC(C)C
InChi [?]:
InChI=1/C26H36N2O2S/c1-20(2)16-25(29)28(23-12-8-5-9-13-23)19-26(30)27(17-22-10-6-4-7-11-22)18-24-21(3)14-15-31-24/h4,6-7,10-11,14-15,20,23H,5,8-9,12-13,16-19H2,1-3H3
InChi Info:
AuxInfo=1/0/N:30,31,1,13,23,12,14,22,24,11,15,21,25,3,4,28,9,7,18,29,2,10,20,6,26,16,8,19,27,17,5/E:(1,2)(6,7)(8,9)(10,11)(12,13)/rA:31nCCCCSCCNCCCCCCCCOCNCCCCCCCOCCCC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;s21;s22;s23;s20s24;s19;d26;s26;s28;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H36N2O2S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.9202 |
Area: | 657.727 |
Solvation: | -3.52294 |
Coulombic: | -35.3022 |
Bond Count [?]
All: | 33 |
Single: | 26 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 440.642 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.95 |
LogP (Chemaxon): | 5.01 |
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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