2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6,7-dihydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6,7-dihydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6,7-dihydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one
Compound characteristics
| Compound ID: | C254-0030 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6,7-dihydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one |
| Molecular Weight: | 353.85 |
| Molecular Formula: | C14 H12 Cl N3 O2 S2 |
| Smiles: | C1CC(N=C2N(C1)N=C(SCC(c1ccc(cc1)[Cl])=O)S2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7492 |
| logD: | 2.7492 |
| logSw: | -3.4981 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.894 |
| InChI Key: | MHHURGHMOWTKGL-UHFFFAOYSA-N |