N-cyclopropyl-N-{[(3S)-3-methyl-4-(thiophene-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide
Chemical Structure Depiction of
N-cyclopropyl-N-{[(3S)-3-methyl-4-(thiophene-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide
N-cyclopropyl-N-{[(3S)-3-methyl-4-(thiophene-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide
Compound characteristics
| Compound ID: | S978-0633 |
| Compound Name: | N-cyclopropyl-N-{[(3S)-3-methyl-4-(thiophene-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}methanesulfonamide |
| Molecular Weight: | 420.55 |
| Molecular Formula: | C20 H24 N2 O4 S2 |
| Smiles: | C[C@H]1COc2ccc(CN(C3CC3)S(C)(=O)=O)cc2CN1C(c1ccsc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.2828 |
| logD: | 3.2828 |
| logSw: | -3.5107 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.114 |
| InChI Key: | DZRVACFHJGBCPZ-CQSZACIVSA-N |