5-(methanesulfonyl)-N-(2-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
5-(methanesulfonyl)-N-(2-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
5-(methanesulfonyl)-N-(2-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0024 |
| Compound Name: | 5-(methanesulfonyl)-N-(2-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C23 H27 N3 O6 S |
| Smiles: | CS(N1CCC(C(Nc2ccccc2C(NCC2CCCO2)=O)=O)Oc2ccccc12)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.673 |
| logD: | 1.6714 |
| logSw: | -2.6924 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.014 |
| InChI Key: | FZJVKXYSQNGPJI-UHFFFAOYSA-N |