N-cyclopropyl-N-{[(3S)-4-(3-fluoro-4-methylbenzoyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide
Chemical Structure Depiction of
N-cyclopropyl-N-{[(3S)-4-(3-fluoro-4-methylbenzoyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide
N-cyclopropyl-N-{[(3S)-4-(3-fluoro-4-methylbenzoyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide
Compound characteristics
| Compound ID: | S978-0655 |
| Compound Name: | N-cyclopropyl-N-{[(3S)-4-(3-fluoro-4-methylbenzoyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide |
| Molecular Weight: | 446.54 |
| Molecular Formula: | C23 H27 F N2 O4 S |
| Smiles: | Cc1ccc(cc1F)C(N1Cc2cc(CN(C3CC3)S(C)(=O)=O)ccc2OC[C@@H]1C)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.0538 |
| logD: | 4.0538 |
| logSw: | -4.1871 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.096 |
| InChI Key: | JKRNQSVEYDXBHL-MRXNPFEDSA-N |