Chemical ID: 5095387

CC(C)(C)c1cc(cc(c1OC)C(C)(C)C)c2cscn2
Chemical ID:
5095387
Name [?]:
4-(4-methoxy-3,5-ditert-butyl-phenyl)thiazole
SMILES [?]:
CC(C)(C)c1cc(cc(c1OC)C(C)(C)C)c2cscn2
InChi [?]:
InChI=1/C18H25NOS/c1-17(2,3)13-8-12(15-10-21-11-19-15)9-14(16(13)20-7)18(4,5)6/h8-11H,1-7H3
InChi Info:
AuxInfo=1/0/N:1,3,4,14,15,16,12,6,8,18,20,7,5,9,17,10,2,13,21,11,19/E:(1,2,3,4,5,6)(8,9)(13,14)(17,18)/rA:21nCCCCCCCCCCOCCCCCCCSCN/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s10;s11;s9;s13;s13;s13;s7;d17;s18;s19;s17d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H25NOS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.0923
Area:482.219
Solvation:-1.96312
Coulombic:-15.2217
Bond Count [?]
All:22
Single:17
Double:5
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:303.463
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.99
LogP (Chemaxon):5.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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