(1-ethyl-1H-pyrazol-5-yl)[(3S)-3-methyl-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone
Chemical Structure Depiction of
(1-ethyl-1H-pyrazol-5-yl)[(3S)-3-methyl-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone
(1-ethyl-1H-pyrazol-5-yl)[(3S)-3-methyl-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone
Compound characteristics
| Compound ID: | S978-0188 |
| Compound Name: | (1-ethyl-1H-pyrazol-5-yl)[(3S)-3-methyl-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone |
| Molecular Weight: | 368.48 |
| Molecular Formula: | C21 H28 N4 O2 |
| Smiles: | CCn1c(ccn1)C(N1Cc2cc(CN3CCCC3)ccc2OC[C@@H]1C)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.3827 |
| logD: | 0.3212 |
| logSw: | -2.6373 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.801 |
| InChI Key: | RKTGHNZRHHGTEY-INIZCTEOSA-N |