N-(2-{[(5-hydroxy-1,3,4-benzoxadiazepin-2-yl)methyl]sulfanyl}phenyl)benzamide
Chemical Structure Depiction of
N-(2-{[(5-hydroxy-1,3,4-benzoxadiazepin-2-yl)methyl]sulfanyl}phenyl)benzamide
N-(2-{[(5-hydroxy-1,3,4-benzoxadiazepin-2-yl)methyl]sulfanyl}phenyl)benzamide
Compound characteristics
| Compound ID: | C301-9048F |
| Compound Name: | N-(2-{[(5-hydroxy-1,3,4-benzoxadiazepin-2-yl)methyl]sulfanyl}phenyl)benzamide |
| Molecular Weight: | 403.46 |
| Molecular Formula: | C22 H17 N3 O3 S |
| Smiles: | C(C1=NN=C(c2ccccc2O1)O)Sc1ccccc1NC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8998 |
| logD: | 0.4757 |
| logSw: | -4.0493 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.772 |
| InChI Key: | VRYXSWWFKSYHKT-UHFFFAOYSA-N |