N-cyclopropyl-N-({(3S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide
Chemical Structure Depiction of
N-cyclopropyl-N-({(3S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide
N-cyclopropyl-N-({(3S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide
Compound characteristics
| Compound ID: | S978-0682 |
| Compound Name: | N-cyclopropyl-N-({(3S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide |
| Molecular Weight: | 447.55 |
| Molecular Formula: | C22 H29 N3 O5 S |
| Smiles: | Cc1c(CC(N2Cc3cc(CN(C4CC4)S(C)(=O)=O)ccc3OC[C@@H]2C)=O)c(C)on1 |
| Stereo: | ABSOLUTE |
| logP: | 2.6598 |
| logD: | 2.6598 |
| logSw: | -2.9836 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.607 |
| InChI Key: | DNHHSBYJAPHBLC-CQSZACIVSA-N |