Chemical ID: 4639980

CC(C)(C)C(=O)Nc1nnc(s1)c2ccc(c(c2)OC)OC
Chemical ID:
4639980
Name [?]:
N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)(C)C(=O)Nc1nnc(s1)c2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C15H19N3O3S/c1-15(2,3)13(19)16-14-18-17-12(22-14)9-6-7-10(20-4)11(8-9)21-5/h6-8H,1-5H3,(H,16,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,4,22,20,14,15,18,13,16,17,11,5,8,2,7,10,9,6,21,19,12/E:(1,2,3)/rA:22nCCCCCONCNNCSCCCCCCOCOC/rB:s1;s2;s2;s2;d5;s5;s7;d8;s9;d10;s8s11;s11;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19N3O3S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.24041
Area:528.777
Solvation:-5.97903
Coulombic:-38.867
Bond Count [?]
All:23
Single:17
Double:6
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:321.396
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.77
LogP (Chemaxon):2.94

Name Annotations

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Descriptor Annotations

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