N-cyclopropyl-N-{[(3S)-3-methyl-4-(3-methylthiophene-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide
Chemical Structure Depiction of
N-cyclopropyl-N-{[(3S)-3-methyl-4-(3-methylthiophene-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide
N-cyclopropyl-N-{[(3S)-3-methyl-4-(3-methylthiophene-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide
Compound characteristics
| Compound ID: | S978-0622 |
| Compound Name: | N-cyclopropyl-N-{[(3S)-3-methyl-4-(3-methylthiophene-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide |
| Molecular Weight: | 434.58 |
| Molecular Formula: | C21 H26 N2 O4 S2 |
| Smiles: | Cc1ccsc1C(N1Cc2cc(CN(C3CC3)S(C)(=O)=O)ccc2OC[C@@H]1C)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.765 |
| logD: | 3.765 |
| logSw: | -3.8354 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.114 |
| InChI Key: | KYTPOVSYMNMGDC-OAHLLOKOSA-N |