N-{[(3S)-4-acetyl-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}-N-cyclopropylmethanesulfonamide
Chemical Structure Depiction of
N-{[(3S)-4-acetyl-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}-N-cyclopropylmethanesulfonamide
N-{[(3S)-4-acetyl-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}-N-cyclopropylmethanesulfonamide
Compound characteristics
| Compound ID: | S978-0679 |
| Compound Name: | N-{[(3S)-4-acetyl-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}-N-cyclopropylmethanesulfonamide |
| Molecular Weight: | 352.45 |
| Molecular Formula: | C17 H24 N2 O4 S |
| Smiles: | CC(N1Cc2cc(CN(C3CC3)S(C)(=O)=O)ccc2OC[C@@H]1C)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.8603 |
| logD: | 1.8603 |
| logSw: | -2.6446 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.835 |
| InChI Key: | AFTUMERDUCFNGV-GFCCVEGCSA-N |