N,N-dimethyl-3-[4-(1-methyl-1H-pyrrole-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Chemical Structure Depiction of
N,N-dimethyl-3-[4-(1-methyl-1H-pyrrole-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
N,N-dimethyl-3-[4-(1-methyl-1H-pyrrole-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Compound characteristics
| Compound ID: | S629-1108 |
| Compound Name: | N,N-dimethyl-3-[4-(1-methyl-1H-pyrrole-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide |
| Molecular Weight: | 355.44 |
| Molecular Formula: | C20 H25 N3 O3 |
| Smiles: | CN(C)C(CCc1ccc2c(CN(CCO2)C(c2cccn2C)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2917 |
| logD: | 2.2917 |
| logSw: | -2.6576 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.721 |
| InChI Key: | JBYHNTVORUOKGX-UHFFFAOYSA-N |