N-cyclopropyl-N-{[(3S)-3-methyl-4-(3-methylbutanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide
Chemical Structure Depiction of
N-cyclopropyl-N-{[(3S)-3-methyl-4-(3-methylbutanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide
N-cyclopropyl-N-{[(3S)-3-methyl-4-(3-methylbutanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide
Compound characteristics
| Compound ID: | S978-0620 |
| Compound Name: | N-cyclopropyl-N-{[(3S)-3-methyl-4-(3-methylbutanoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide |
| Molecular Weight: | 394.53 |
| Molecular Formula: | C20 H30 N2 O4 S |
| Smiles: | CC(C)CC(N1Cc2cc(CN(C3CC3)S(C)(=O)=O)ccc2OC[C@@H]1C)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.2961 |
| logD: | 3.2961 |
| logSw: | -3.5498 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.84 |
| InChI Key: | SXVJQMQETWCBER-OAHLLOKOSA-N |