Chemical ID: 6575134

CC(C)(C)C(=O)Nc1nc(cs1)c2ccc(c(c2)OC)OC
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

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Descriptor Annotations

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