2-[4-amino-3-(methylsulfanyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-1-(10H-phenothiazin-10-yl)ethan-1-one
Chemical Structure Depiction of
2-[4-amino-3-(methylsulfanyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-1-(10H-phenothiazin-10-yl)ethan-1-one
2-[4-amino-3-(methylsulfanyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-1-(10H-phenothiazin-10-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8009-6323 |
| Compound Name: | 2-[4-amino-3-(methylsulfanyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-1-(10H-phenothiazin-10-yl)ethan-1-one |
| Molecular Weight: | 401.53 |
| Molecular Formula: | C17 H15 N5 O S3 |
| Smiles: | CSC1=NN(CC(N2c3ccccc3Sc3ccccc23)=O)C(N1N)=S |
| Stereo: | ACHIRAL |
| logP: | 2.814 |
| logD: | 2.814 |
| logSw: | -3.2237 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.684 |
| InChI Key: | VHNDWLJPXSTYGZ-UHFFFAOYSA-N |