2-cyclopropyl-9-(3-fluoro-4-methoxybenzoyl)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-fluoro-4-methoxybenzoyl)hexahydro-3lambda~6~-pyrazino[2,1-d][1,2,5]thiadiazepine-1,3,3(2H,7H)-trione
2-cyclopropyl-9-(3-fluoro-4-methoxybenzoyl)hexahydro-3lambda~6~-pyrazino[2,1-d][1,2,5]thiadiazepine-1,3,3(2H,7H)-trione
Compound characteristics
| Compound ID: | S737-0027 |
| Compound Name: | 2-cyclopropyl-9-(3-fluoro-4-methoxybenzoyl)hexahydro-3lambda~6~-pyrazino[2,1-d][1,2,5]thiadiazepine-1,3,3(2H,7H)-trione |
| Molecular Weight: | 411.45 |
| Molecular Formula: | C18 H22 F N3 O5 S |
| Smiles: | COc1ccc(cc1F)C(N1CCN2CCS(N(C3CC3)C(C2C1)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.1489 |
| logD: | 0.1489 |
| logSw: | -2.1462 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.685 |
| InChI Key: | PLERVHNYUVJTEX-OAHLLOKOSA-N |