6-[(3-Aminophenyl)methyl]-4,6-dihydro-4-methyl-2-(methylsulfinyl)-5H-thieno[2′,3′:4,5]pyrrolo[2,3-D]pyridazin-5-one
Properties
- Molecular formula
- C17H16N4O2S2
- Molar mass
- 372.46 g/mol
- Exact mass
- 372.0715 Da
- logP
- 2.32Crippen estimate
- Polar surface area
- 82.9 Ų
- H-bond donors / acceptors
- 1 / 5
- Rotatable bonds
- 3
Identifiers
CAS number
1221186-53-3SMILES
Cn1c2cc(S(C)=O)sc2c2cnn(Cc3cccc(N)c3)c(=O)c21InChIKey
ZWKJWVSEDISQIS-UHFFFAOYSA-NInChI
InChI=1S/C17H16N4O2S2/c1-20-13-7-14(25(2)23)24-16(13)12-8-19-21(17(22)15(12)20)9-10-4-3-5-11(18)6-10/h3-8H,9,18H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- 5H-Thieno[2′,3′:4,5]pyrrolo[2,3-d]pyridazin-5-one, 6-[(3-aminophenyl)methyl]-4,6-dihydro-4-methyl-2-(methylsulfinyl)-
- TEPP-46