rel-(8aR,12aS)-1-(methoxyacetyl)-4-(4-phenylbutanoyl)dodecahydro-1,4,7-benzotriazecin-8(1H)-one
Chemical Structure Depiction of
rel-(8aR,12aS)-1-(methoxyacetyl)-4-(4-phenylbutanoyl)dodecahydro-1,4,7-benzotriazecin-8(1H)-one
rel-(8aR,12aS)-1-(methoxyacetyl)-4-(4-phenylbutanoyl)dodecahydro-1,4,7-benzotriazecin-8(1H)-one
Compound characteristics
| Compound ID: | SB83-0607 |
| Compound Name: | rel-(8aR,12aS)-1-(methoxyacetyl)-4-(4-phenylbutanoyl)dodecahydro-1,4,7-benzotriazecin-8(1H)-one |
| Molecular Weight: | 429.56 |
| Molecular Formula: | C24 H35 N3 O4 |
| Smiles: | COCC(N1CCN(CCNC([C@H]2CCCC[C@@H]12)=O)C(CCCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7578 |
| logD: | 1.7578 |
| logSw: | -2.3747 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.605 |
| InChI Key: | GVHORHNIJVZMIR-RTWAWAEBSA-N |