N-cyclopropyl-N-{[(3S)-3-methyl-4-(pyrimidine-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide
Chemical Structure Depiction of
N-cyclopropyl-N-{[(3S)-3-methyl-4-(pyrimidine-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide
N-cyclopropyl-N-{[(3S)-3-methyl-4-(pyrimidine-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide
Compound characteristics
| Compound ID: | S978-0664 |
| Compound Name: | N-cyclopropyl-N-{[(3S)-3-methyl-4-(pyrimidine-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide |
| Molecular Weight: | 416.5 |
| Molecular Formula: | C20 H24 N4 O4 S |
| Smiles: | C[C@H]1COc2ccc(CN(C3CC3)S(C)(=O)=O)cc2CN1C(c1cncnc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.3436 |
| logD: | 1.3436 |
| logSw: | -2.0958 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.846 |
| InChI Key: | YXAFQGRRNCUQDW-CQSZACIVSA-N |