5-(methanesulfonyl)-7-methyl-N-(2-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
5-(methanesulfonyl)-7-methyl-N-(2-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
5-(methanesulfonyl)-7-methyl-N-(2-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0506 |
| Compound Name: | 5-(methanesulfonyl)-7-methyl-N-(2-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 487.57 |
| Molecular Formula: | C24 H29 N3 O6 S |
| Smiles: | Cc1ccc2c(c1)N(CCC(C(Nc1ccccc1C(NCC1CCCO1)=O)=O)O2)S(C)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1304 |
| logD: | 2.1289 |
| logSw: | -3.1112 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.014 |
| InChI Key: | RVAFOFOKFHPDDJ-UHFFFAOYSA-N |