N-(3,4-dimethoxyphenyl)-N'-(2-{[(5-hydroxy-1,3,4-benzoxadiazepin-2-yl)methyl]sulfanyl}phenyl)urea
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-N'-(2-{[(5-hydroxy-1,3,4-benzoxadiazepin-2-yl)methyl]sulfanyl}phenyl)urea
N-(3,4-dimethoxyphenyl)-N'-(2-{[(5-hydroxy-1,3,4-benzoxadiazepin-2-yl)methyl]sulfanyl}phenyl)urea
Compound characteristics
| Compound ID: | C301-9053 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-N'-(2-{[(5-hydroxy-1,3,4-benzoxadiazepin-2-yl)methyl]sulfanyl}phenyl)urea |
| Molecular Weight: | 478.53 |
| Molecular Formula: | C24 H22 N4 O5 S |
| Smiles: | COc1ccc(cc1OC)NC(Nc1ccccc1SCC1=NN=C(c2ccccc2O1)O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.993 |
| logD: | 0.569 |
| logSw: | -4.1763 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.244 |
| InChI Key: | XJNZOKUKFXRQSD-UHFFFAOYSA-N |