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Chemical ID: 6575134
Chemical ID:
6575134
Name [?]:
N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)(C)C(=O)Nc1nc(cs1)c2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C16H20N2O3S/c1-16(2,3)14(19)18-15-17-11(9-22-15)10-6-7-12(20-4)13(8-10)21-5/h6-9H,1-5H3,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,4,22,20,14,15,18,11,13,10,16,17,5,8,2,9,7,6,21,19,12/E:(1,2,3)/rA:22nCCCCCONCNCCSCCCCCCOCOC/rB:s1;s2;s2;s2;d5;s5;s7;d8;s9;d10;s8s11;s10;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2O3S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.52991 |
Area: | 524.99 |
Solvation: | -5.59484 |
Coulombic: | -40.4372 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 320.408 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.42 |
LogP (Chemaxon): | 4.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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