2-[4-(azepane-1-sulfonyl)phenyl]-5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-[4-(azepane-1-sulfonyl)phenyl]-5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1,3-oxazole-4-carbonitrile
2-[4-(azepane-1-sulfonyl)phenyl]-5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D434-0816 |
| Compound Name: | 2-[4-(azepane-1-sulfonyl)phenyl]-5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 480.54 |
| Molecular Formula: | C24 H24 N4 O5 S |
| Smiles: | C1CCCN(CC1)S(c1ccc(cc1)c1nc(C#N)c(NCc2ccc3c(c2)OCO3)o1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8583 |
| logD: | 3.8583 |
| logSw: | -4.1082 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.435 |
| InChI Key: | QMQOUVNFMOSVOX-UHFFFAOYSA-N |