[(3S)-3-methyl-4-(5-methylthiophene-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
[(3S)-3-methyl-4-(5-methylthiophene-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone
[(3S)-3-methyl-4-(5-methylthiophene-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | S979-0329 |
| Compound Name: | [(3S)-3-methyl-4-(5-methylthiophene-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyrrolidin-1-yl)methanone |
| Molecular Weight: | 384.5 |
| Molecular Formula: | C21 H24 N2 O3 S |
| Smiles: | Cc1ccc(C(N2Cc3cc(ccc3OC[C@@H]2C)C(N2CCCC2)=O)=O)s1 |
| Stereo: | ABSOLUTE |
| logP: | 3.7534 |
| logD: | 3.7534 |
| logSw: | -3.8858 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.647 |
| InChI Key: | JSOLGBQQRVKDCB-AWEZNQCLSA-N |