1,3-Benzoxazol-2-yl 3-benzyl-3H-[1,2,3]triazolo[4,5-D]pyrimidin-7-yl sulfide
Properties
- Molecular formula
- C18H12N6OS
- Molar mass
- 360.40 g/mol
- Exact mass
- 360.0793 Da
- logP
- 3.56Crippen estimate
- Polar surface area
- 82.5 Ų
- H-bond donors / acceptors
- 0 / 7
- Rotatable bonds
- 4
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
722456-31-7SMILES
C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)SC4=NC5=CC=CC=C5O4)N=N2InChIKey
HZSOKHVVANONPV-UHFFFAOYSA-NInChI
InChI=1S/C18H12N6OS/c1-2-6-12(7-3-1)10-24-16-15(22-23-24)17(20-11-19-16)26-18-21-13-8-4-5-9-14(13)25-18/h1-9,11H,10H2Weigh it out
Type any one amount. The others follow from the molar mass.