2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Chemical Structure Depiction of
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | S979-0392 |
| Compound Name: | 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethan-1-one |
| Molecular Weight: | 397.47 |
| Molecular Formula: | C22 H27 N3 O4 |
| Smiles: | Cc1c(CC(N2Cc3cc(ccc3OC[C@@H]2C)C(N2CCCC2)=O)=O)c(C)on1 |
| Stereo: | ABSOLUTE |
| logP: | 2.3781 |
| logD: | 2.3781 |
| logSw: | -2.7697 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.139 |
| InChI Key: | NXTLIEZXBRKSHS-CQSZACIVSA-N |