ethyl 4-{[(8-oxo-5,6,7,8-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[(8-oxo-5,6,7,8-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetyl}piperazine-1-carboxylate
ethyl 4-{[(8-oxo-5,6,7,8-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K412-0024 |
| Compound Name: | ethyl 4-{[(8-oxo-5,6,7,8-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetyl}piperazine-1-carboxylate |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C15 H21 N5 O4 S2 |
| Smiles: | CCOC(N1CCN(CC1)C(CSC1=NN2CCCC(N=C2S1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8279 |
| logD: | 0.8279 |
| logSw: | -1.2241 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.82 |
| InChI Key: | ZJCOEEPBAFSADW-UHFFFAOYSA-N |