N-{[(3S)-4-(cyclopentanecarbonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}-N-cyclopropylmethanesulfonamide
Chemical Structure Depiction of
N-{[(3S)-4-(cyclopentanecarbonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}-N-cyclopropylmethanesulfonamide
N-{[(3S)-4-(cyclopentanecarbonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}-N-cyclopropylmethanesulfonamide
Compound characteristics
| Compound ID: | S978-0635 |
| Compound Name: | N-{[(3S)-4-(cyclopentanecarbonyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}-N-cyclopropylmethanesulfonamide |
| Molecular Weight: | 406.54 |
| Molecular Formula: | C21 H30 N2 O4 S |
| Smiles: | C[C@H]1COc2ccc(CN(C3CC3)S(C)(=O)=O)cc2CN1C(C1CCCC1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.4666 |
| logD: | 3.4666 |
| logSw: | -3.5777 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.654 |
| InChI Key: | QFKKYKFVQIJRGJ-OAHLLOKOSA-N |