(pyrrolidin-1-yl){4-[(thiophen-3-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methanone
Chemical Structure Depiction of
(pyrrolidin-1-yl){4-[(thiophen-3-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methanone
(pyrrolidin-1-yl){4-[(thiophen-3-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methanone
Compound characteristics
| Compound ID: | M400-0323 |
| Compound Name: | (pyrrolidin-1-yl){4-[(thiophen-3-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methanone |
| Molecular Weight: | 342.46 |
| Molecular Formula: | C19 H22 N2 O2 S |
| Smiles: | C1CCN(C1)C(c1ccc2c(CN(CCO2)Cc2ccsc2)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7408 |
| logD: | 2.2292 |
| logSw: | -3.0349 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.9478 |
| InChI Key: | FRSLGEOCJMRGNY-UHFFFAOYSA-N |