N-cyclopropyl-N-({(3S)-3-methyl-4-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide
Chemical Structure Depiction of
N-cyclopropyl-N-({(3S)-3-methyl-4-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide
N-cyclopropyl-N-({(3S)-3-methyl-4-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide
Compound characteristics
| Compound ID: | S978-0640 |
| Compound Name: | N-cyclopropyl-N-({(3S)-3-methyl-4-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)methanesulfonamide |
| Molecular Weight: | 401.53 |
| Molecular Formula: | C21 H27 N3 O3 S |
| Smiles: | C[C@H]1COc2ccc(CN(C3CC3)S(C)(=O)=O)cc2CN1Cc1cccnc1 |
| Stereo: | ABSOLUTE |
| logP: | 2.4519 |
| logD: | 2.1141 |
| logSw: | -2.3571 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.864 |
| InChI Key: | IDSYRFZQJDGIRH-MRXNPFEDSA-N |