5-(methanesulfonyl)-7-methyl-N-{3-[(propan-2-yl)oxy]phenyl}-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
5-(methanesulfonyl)-7-methyl-N-{3-[(propan-2-yl)oxy]phenyl}-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
5-(methanesulfonyl)-7-methyl-N-{3-[(propan-2-yl)oxy]phenyl}-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0658 |
| Compound Name: | 5-(methanesulfonyl)-7-methyl-N-{3-[(propan-2-yl)oxy]phenyl}-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C21 H26 N2 O5 S |
| Smiles: | CC(C)Oc1cccc(c1)NC(C1CCN(c2cc(C)ccc2O1)S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4557 |
| logD: | 3.4556 |
| logSw: | -3.7799 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.447 |
| InChI Key: | AELNXQUXLRBQQJ-HXUWFJFHSA-N |