N-cyclopropyl-N-({(3S)-3-methyl-4-[(thiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide
Chemical Structure Depiction of
N-cyclopropyl-N-({(3S)-3-methyl-4-[(thiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide
N-cyclopropyl-N-({(3S)-3-methyl-4-[(thiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide
Compound characteristics
| Compound ID: | S978-0706 |
| Compound Name: | N-cyclopropyl-N-({(3S)-3-methyl-4-[(thiophen-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide |
| Molecular Weight: | 406.56 |
| Molecular Formula: | C20 H26 N2 O3 S2 |
| Smiles: | C[C@H]1COc2ccc(CN(C3CC3)S(C)(=O)=O)cc2CN1Cc1cccs1 |
| Stereo: | ABSOLUTE |
| logP: | 3.5551 |
| logD: | 2.9193 |
| logSw: | -3.6617 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 44.364 |
| InChI Key: | QVAXPSXBCREJJT-OAHLLOKOSA-N |