rel-(4aR,8aR)-1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxooctahydro-7H-pyrido[3,4-d][1,3]oxazine-7-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxooctahydro-7H-pyrido[3,4-d][1,3]oxazine-7-carboxamide
rel-(4aR,8aR)-1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxooctahydro-7H-pyrido[3,4-d][1,3]oxazine-7-carboxamide
Compound characteristics
| Compound ID: | S619-0132 |
| Compound Name: | rel-(4aR,8aR)-1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxooctahydro-7H-pyrido[3,4-d][1,3]oxazine-7-carboxamide |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C23 H25 N3 O5 |
| Smiles: | C1CN(C[C@@H]2[C@H]1COC(N2Cc1ccccc1)=O)C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3228 |
| logD: | 2.3228 |
| logSw: | -3.0429 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.565 |
| InChI Key: | AQHNMMFTWPKMTB-IEBWSBKVSA-N |