N-{[(3S)-4-(cyclohexylmethyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}-N-cyclopropylmethanesulfonamide
Chemical Structure Depiction of
N-{[(3S)-4-(cyclohexylmethyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}-N-cyclopropylmethanesulfonamide
N-{[(3S)-4-(cyclohexylmethyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}-N-cyclopropylmethanesulfonamide
Compound characteristics
| Compound ID: | S978-0648 |
| Compound Name: | N-{[(3S)-4-(cyclohexylmethyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}-N-cyclopropylmethanesulfonamide |
| Molecular Weight: | 406.59 |
| Molecular Formula: | C22 H34 N2 O3 S |
| Smiles: | C[C@H]1COc2ccc(CN(C3CC3)S(C)(=O)=O)cc2CN1CC1CCCCC1 |
| Stereo: | ABSOLUTE |
| logP: | 4.5546 |
| logD: | 3.2267 |
| logSw: | -4.4567 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.538 |
| InChI Key: | FXTDTUWWYWVHCJ-QGZVFWFLSA-N |