2-[(propan-2-yl)sulfanyl]-6,7-dihydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one
Chemical Structure Depiction of
2-[(propan-2-yl)sulfanyl]-6,7-dihydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one
2-[(propan-2-yl)sulfanyl]-6,7-dihydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one
Compound characteristics
| Compound ID: | K412-0070 |
| Compound Name: | 2-[(propan-2-yl)sulfanyl]-6,7-dihydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one |
| Molecular Weight: | 243.35 |
| Molecular Formula: | C9 H13 N3 O S2 |
| Smiles: | CC(C)SC1=NN2CCCC(N=C2S1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.935 |
| logD: | 1.935 |
| logSw: | -1.9025 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.919 |
| InChI Key: | PVUTUSPLYHYLOE-UHFFFAOYSA-N |