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Chemical ID: 4781997
Chemical ID:
4781997
Name [?]:
5-tert-butyl-N-(4-tert-butylphenyl)-thiophene-2-carboxamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)NC(=O)c2ccc(s2)C(C)(C)C
InChi [?]:
InChI=1/C19H25NOS/c1-18(2,3)13-7-9-14(10-8-13)20-17(21)15-11-12-16(22-15)19(4,5)6/h7-12H,1-6H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,4,20,21,22,6,10,7,9,15,16,5,8,14,17,12,2,19,11,13,18/E:(1,2,3)(4,5,6)(7,8)(9,10)/rA:22nCCCCCCCCCCNCOCCCCSCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;d14;s15;d16;s14s17;s17;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25NOS |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5306 |
Area: | 538.262 |
Solvation: | -1.92597 |
Coulombic: | -24.7793 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 315.474 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.43 |
LogP (Chemaxon): | 5.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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