2-cyclopropyl-9-[(3-fluorophenyl)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-fluorophenyl)acetyl]hexahydro-3lambda~6~-pyrazino[2,1-d][1,2,5]thiadiazepine-1,3,3(2H,7H)-trione
2-cyclopropyl-9-[(3-fluorophenyl)acetyl]hexahydro-3lambda~6~-pyrazino[2,1-d][1,2,5]thiadiazepine-1,3,3(2H,7H)-trione
Compound characteristics
| Compound ID: | S737-0022 |
| Compound Name: | 2-cyclopropyl-9-[(3-fluorophenyl)acetyl]hexahydro-3lambda~6~-pyrazino[2,1-d][1,2,5]thiadiazepine-1,3,3(2H,7H)-trione |
| Molecular Weight: | 395.45 |
| Molecular Formula: | C18 H22 F N3 O4 S |
| Smiles: | C1CC1N1C(C2CN(CCN2CCS1(=O)=O)C(Cc1cccc(c1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6008 |
| logD: | 0.6008 |
| logSw: | -2.0428 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.527 |
| InChI Key: | BSVPRUQTDLEHPQ-MRXNPFEDSA-N |