2-cyclopropyl-9-(5-methoxy-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-(5-methoxy-1H-indole-2-carbonyl)hexahydro-3lambda~6~-pyrazino[2,1-d][1,2,5]thiadiazepine-1,3,3(2H,7H)-trione
2-cyclopropyl-9-(5-methoxy-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: | S737-0096 |
| Compound Name: | 2-cyclopropyl-9-(5-methoxy-1H-indole-2-carbonyl)hexahydro-3lambda~6~-pyrazino[2,1-d][1,2,5]thiadiazepine-1,3,3(2H,7H)-trione |
| Molecular Weight: | 432.5 |
| Molecular Formula: | C20 H24 N4 O5 S |
| Smiles: | COc1ccc2c(c1)cc(C(N1CCN3CCS(N(C4CC4)C(C3C1)=O)(=O)=O)=O)[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9904 |
| logD: | 0.9904 |
| logSw: | -2.6729 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.948 |
| InChI Key: | NUXGRUZFDFMHFY-GOSISDBHSA-N |