rel-(8aR,12aS)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-1-(methoxyacetyl)dodecahydro-1,4,7-benzotriazecin-8(1H)-one
Chemical Structure Depiction of
rel-(8aR,12aS)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-1-(methoxyacetyl)dodecahydro-1,4,7-benzotriazecin-8(1H)-one
rel-(8aR,12aS)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-1-(methoxyacetyl)dodecahydro-1,4,7-benzotriazecin-8(1H)-one
Compound characteristics
| Compound ID: | SB83-0628 |
| Compound Name: | rel-(8aR,12aS)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-1-(methoxyacetyl)dodecahydro-1,4,7-benzotriazecin-8(1H)-one |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C21 H32 N4 O5 |
| Smiles: | Cc1c(CC(N2CCNC([C@H]3CCCC[C@H]3N(CC2)C(COC)=O)=O)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.0231 |
| logD: | -0.0231 |
| logSw: | -1.4864 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.643 |
| InChI Key: | UGZOWLNOTOKNDA-AEFFLSMTSA-N |