N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | M249-0044 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C23 H25 N3 O5 |
| Smiles: | C1CCN(C1)C(c1ccc2c(CN(CCO2)C(Nc2ccc3c(c2)OCCO3)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8421 |
| logD: | 1.8421 |
| logSw: | -2.5243 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.489 |
| InChI Key: | LWNPSSGBIXNWBN-UHFFFAOYSA-N |