N-cyclopropyl-N-{[(3S)-4-(methoxyacetyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide
Chemical Structure Depiction of
N-cyclopropyl-N-{[(3S)-4-(methoxyacetyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide
N-cyclopropyl-N-{[(3S)-4-(methoxyacetyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide
Compound characteristics
| Compound ID: | S978-1163 |
| Compound Name: | N-cyclopropyl-N-{[(3S)-4-(methoxyacetyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C18 H26 N2 O5 S |
| Smiles: | C[C@H]1COc2ccc(CN(C3CC3)S(C)(=O)=O)cc2CN1C(COC)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.6481 |
| logD: | 1.6481 |
| logSw: | -2.5026 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.264 |
| InChI Key: | FWBAVXVRPASOJZ-CYBMUJFWSA-N |