2-cyclopropyl-9-[4-(1H-indol-3-yl)butanoyl]hexahydro-3lambda~6~-pyrazino[2,1-d][1,2,5]thiadiazepine-1,3,3(2H,7H)-trione
Chemical Structure Depiction of
2-cyclopropyl-9-[4-(1H-indol-3-yl)butanoyl]hexahydro-3lambda~6~-pyrazino[2,1-d][1,2,5]thiadiazepine-1,3,3(2H,7H)-trione
2-cyclopropyl-9-[4-(1H-indol-3-yl)butanoyl]hexahydro-3lambda~6~-pyrazino[2,1-d][1,2,5]thiadiazepine-1,3,3(2H,7H)-trione
Compound characteristics
| Compound ID: | S737-0026 |
| Compound Name: | 2-cyclopropyl-9-[4-(1H-indol-3-yl)butanoyl]hexahydro-3lambda~6~-pyrazino[2,1-d][1,2,5]thiadiazepine-1,3,3(2H,7H)-trione |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C22 H28 N4 O4 S |
| Smiles: | C(CC(N1CCN2CCS(N(C3CC3)C(C2C1)=O)(=O)=O)=O)Cc1c[nH]c2ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0456 |
| logD: | 1.0456 |
| logSw: | -2.2373 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.398 |
| InChI Key: | NNPHWUNCHOPZIC-HXUWFJFHSA-N |