2-cyclopropyl-9-(1H-indole-2-carbonyl)hexahydro-3lambda~6~-pyrazino[2,1-d][1,2,5]thiadiazepine-1,3,3(2H,7H)-trione
Chemical Structure Depiction of
2-cyclopropyl-9-(1H-indole-2-carbonyl)hexahydro-3lambda~6~-pyrazino[2,1-d][1,2,5]thiadiazepine-1,3,3(2H,7H)-trione
2-cyclopropyl-9-(1H-indole-2-carbonyl)hexahydro-3lambda~6~-pyrazino[2,1-d][1,2,5]thiadiazepine-1,3,3(2H,7H)-trione
Compound characteristics
| Compound ID: | S737-0023 |
| Compound Name: | 2-cyclopropyl-9-(1H-indole-2-carbonyl)hexahydro-3lambda~6~-pyrazino[2,1-d][1,2,5]thiadiazepine-1,3,3(2H,7H)-trione |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C19 H22 N4 O4 S |
| Smiles: | C1CC1N1C(C2CN(CCN2CCS1(=O)=O)C(c1cc2ccccc2[nH]1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1155 |
| logD: | 1.1155 |
| logSw: | -2.6397 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.404 |
| InChI Key: | HMYYHFHFISMFLZ-KRWDZBQOSA-N |