2-cyclopropyl-9-[(3-methoxyphenyl)acetyl]hexahydro-3lambda~6~-pyrazino[2,1-d][1,2,5]thiadiazepine-1,3,3(2H,7H)-trione
Chemical Structure Depiction of
2-cyclopropyl-9-[(3-methoxyphenyl)acetyl]hexahydro-3lambda~6~-pyrazino[2,1-d][1,2,5]thiadiazepine-1,3,3(2H,7H)-trione
2-cyclopropyl-9-[(3-methoxyphenyl)acetyl]hexahydro-3lambda~6~-pyrazino[2,1-d][1,2,5]thiadiazepine-1,3,3(2H,7H)-trione
Compound characteristics
| Compound ID: | S737-0013 |
| Compound Name: | 2-cyclopropyl-9-[(3-methoxyphenyl)acetyl]hexahydro-3lambda~6~-pyrazino[2,1-d][1,2,5]thiadiazepine-1,3,3(2H,7H)-trione |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C19 H25 N3 O5 S |
| Smiles: | COc1cccc(CC(N2CCN3CCS(N(C4CC4)C(C3C2)=O)(=O)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.534 |
| logD: | 0.534 |
| logSw: | -2.0824 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.071 |
| InChI Key: | HNKMPYVSVPOJKG-QGZVFWFLSA-N |