N-cyclopropyl-N-({(3S)-3-methyl-4-[(pyridin-3-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide
Chemical Structure Depiction of
N-cyclopropyl-N-({(3S)-3-methyl-4-[(pyridin-3-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide
N-cyclopropyl-N-({(3S)-3-methyl-4-[(pyridin-3-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide
Compound characteristics
| Compound ID: | S978-0634 |
| Compound Name: | N-cyclopropyl-N-({(3S)-3-methyl-4-[(pyridin-3-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C22 H27 N3 O4 S |
| Smiles: | C[C@H]1COc2ccc(CN(C3CC3)S(C)(=O)=O)cc2CN1C(Cc1cccnc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.2634 |
| logD: | 2.2549 |
| logSw: | -2.4437 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.086 |
| InChI Key: | MAWFISKRKPPXHC-MRXNPFEDSA-N |