rel-(8aR,12aS)-4-[(1H-indol-3-yl)acetyl]-1-(methoxyacetyl)dodecahydro-1,4,7-benzotriazecin-8(1H)-one
Chemical Structure Depiction of
rel-(8aR,12aS)-4-[(1H-indol-3-yl)acetyl]-1-(methoxyacetyl)dodecahydro-1,4,7-benzotriazecin-8(1H)-one
rel-(8aR,12aS)-4-[(1H-indol-3-yl)acetyl]-1-(methoxyacetyl)dodecahydro-1,4,7-benzotriazecin-8(1H)-one
Compound characteristics
| Compound ID: | SB83-0602 |
| Compound Name: | rel-(8aR,12aS)-4-[(1H-indol-3-yl)acetyl]-1-(methoxyacetyl)dodecahydro-1,4,7-benzotriazecin-8(1H)-one |
| Molecular Weight: | 440.54 |
| Molecular Formula: | C24 H32 N4 O4 |
| Smiles: | COCC(N1CCN(CCNC([C@H]2CCCC[C@@H]12)=O)C(Cc1c[nH]c2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0259 |
| logD: | 1.0259 |
| logSw: | -2.1069 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.476 |
| InChI Key: | UUBSBEGKIBIZTM-CTNGQTDRSA-N |