[(3S)-4-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
[(3S)-4-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone
[(3S)-4-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | S979-0400 |
| Compound Name: | [(3S)-4-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C22 H28 N4 O3 |
| Smiles: | CCn1c(C)c(cn1)C(N1Cc2cc(ccc2OC[C@@H]1C)C(N1CCCC1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.2864 |
| logD: | 2.2864 |
| logSw: | -2.8333 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.553 |
| InChI Key: | XTGUDFMQGICPNI-OAHLLOKOSA-N |