Chemical ID: 5069279

CC(C)(C)C(=O)Nc1nnc(s1)c2ccc3c(c2)OCO3
Chemical ID:
5069279
Name [?]:
N-(5-benzo[1,3]dioxol-5-yl-1,3,4-thiadiazol-2-yl)-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)(C)C(=O)Nc1nnc(s1)c2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C14H15N3O3S/c1-14(2,3)12(18)15-13-17-16-11(21-13)8-4-5-9-10(6-8)20-7-19-9/h4-6H,7H2,1-3H3,(H,15,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,4,14,15,18,20,13,16,17,11,5,8,2,7,10,9,6,21,19,12/E:(1,2,3)/rA:21nCCCCCONCNNCSCCCCCCOCO/rB:s1;s2;s2;s2;d5;s5;s7;d8;s9;d10;s8s11;s11;s13;d14;s15;d16;d13s17;s17;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15N3O3S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.24221
Area:496.162
Solvation:-4.16184
Coulombic:-41.1818
Bond Count [?]
All:23
Single:17
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:305.353
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.97
LogP (Chemaxon):3.13

Name Annotations

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Descriptor Annotations

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