2-{[(3-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one
Chemical Structure Depiction of
2-{[(3-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one
2-{[(3-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one
Compound characteristics
| Compound ID: | K412-0005 |
| Compound Name: | 2-{[(3-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one |
| Molecular Weight: | 305.42 |
| Molecular Formula: | C14 H15 N3 O S2 |
| Smiles: | Cc1cccc(CSC2=NN3CCCC(N=C3S2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.276 |
| logD: | 3.276 |
| logSw: | -3.256 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.647 |
| InChI Key: | BNPUWBUBCHEWBC-UHFFFAOYSA-N |