N-{[(3S)-4-(cyclopentylacetyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}-N-cyclopropylmethanesulfonamide
Chemical Structure Depiction of
N-{[(3S)-4-(cyclopentylacetyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}-N-cyclopropylmethanesulfonamide
N-{[(3S)-4-(cyclopentylacetyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}-N-cyclopropylmethanesulfonamide
Compound characteristics
| Compound ID: | S978-0656 |
| Compound Name: | N-{[(3S)-4-(cyclopentylacetyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}-N-cyclopropylmethanesulfonamide |
| Molecular Weight: | 420.57 |
| Molecular Formula: | C22 H32 N2 O4 S |
| Smiles: | C[C@H]1COc2ccc(CN(C3CC3)S(C)(=O)=O)cc2CN1C(CC1CCCC1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.6826 |
| logD: | 3.6826 |
| logSw: | -3.9231 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.127 |
| InChI Key: | QNDWUDNBZIIHBT-MRXNPFEDSA-N |