N-cyclopropyl-N-{[(3S)-3-methyl-4-(4-methyl-1,3-oxazole-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide
Chemical Structure Depiction of
N-cyclopropyl-N-{[(3S)-3-methyl-4-(4-methyl-1,3-oxazole-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide
N-cyclopropyl-N-{[(3S)-3-methyl-4-(4-methyl-1,3-oxazole-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide
Compound characteristics
| Compound ID: | S978-0644 |
| Compound Name: | N-cyclopropyl-N-{[(3S)-3-methyl-4-(4-methyl-1,3-oxazole-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C20 H25 N3 O5 S |
| Smiles: | Cc1c(C(N2Cc3cc(CN(C4CC4)S(C)(=O)=O)ccc3OC[C@@H]2C)=O)ocn1 |
| Stereo: | ABSOLUTE |
| logP: | 2.084 |
| logD: | 2.084 |
| logSw: | -2.8531 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.01 |
| InChI Key: | LHOLXJRREZXBDG-CYBMUJFWSA-N |