5-(methanesulfonyl)-N-(2-{[(pyridin-3-yl)methyl]carbamoyl}phenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
5-(methanesulfonyl)-N-(2-{[(pyridin-3-yl)methyl]carbamoyl}phenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
5-(methanesulfonyl)-N-(2-{[(pyridin-3-yl)methyl]carbamoyl}phenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0023 |
| Compound Name: | 5-(methanesulfonyl)-N-(2-{[(pyridin-3-yl)methyl]carbamoyl}phenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 480.54 |
| Molecular Formula: | C24 H24 N4 O5 S |
| Smiles: | CS(N1CCC(C(Nc2ccccc2C(NCc2cccnc2)=O)=O)Oc2ccccc12)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8946 |
| logD: | 1.8937 |
| logSw: | -2.3949 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.878 |
| InChI Key: | SDDKNOOLPGTELV-JOCHJYFZSA-N |