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Chemical ID: 5916234
Chemical ID:
5916234
Name [?]:
N-[[benzyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-cyclohexyl-2-methyl-propanamide
SMILES [?]:
Cc1ccc(s1)CN(Cc2ccccc2)C(=O)CN(C3CCCCC3)C(=O)C(C)C
InChi [?]:
InChI=1/C25H34N2O2S/c1-19(2)25(29)27(22-12-8-5-9-13-22)18-24(28)26(16-21-10-6-4-7-11-21)17-23-15-14-20(3)30-23/h4,6-7,10-11,14-15,19,22H,5,8-9,12-13,16-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:29,30,1,13,23,12,14,22,24,11,15,21,25,3,4,9,7,18,28,2,10,20,5,16,26,8,19,17,27,6/E:(1,2)(6,7)(8,9)(10,11)(12,13)/rA:30nCCCCCSCNCCCCCCCCOCNCCCCCCCOCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;s21;s22;s23;s20s24;s19;d26;s26;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H34N2O2S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.7017 |
Area: | 640.797 |
Solvation: | -3.31825 |
Coulombic: | -35.4774 |
Bond Count [?]
All: | 32 |
Single: | 25 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 426.616 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.87 |
LogP (Chemaxon): | 4.37 |
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
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Chemical Mix | Source | External ID | Descriptor | Value |
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