N-cyclopropyl-N-({(3S)-3-methyl-4-[(thiophen-2-yl)acetyl]-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)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide
N-cyclopropyl-N-({(3S)-3-methyl-4-[(thiophen-2-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide
Compound characteristics
| Compound ID: | S978-0625 |
| Compound Name: | N-cyclopropyl-N-({(3S)-3-methyl-4-[(thiophen-2-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide |
| Molecular Weight: | 434.58 |
| Molecular Formula: | C21 H26 N2 O4 S2 |
| Smiles: | C[C@H]1COc2ccc(CN(C3CC3)S(C)(=O)=O)cc2CN1C(Cc1cccs1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.1021 |
| logD: | 3.1021 |
| logSw: | -3.2739 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.587 |
| InChI Key: | JJASSBYXADVMMR-OAHLLOKOSA-N |