3-[(propan-2-yl)amino]-4H-1-benzothiopyran-4-one
Chemical Structure Depiction of
3-[(propan-2-yl)amino]-4H-1-benzothiopyran-4-one
3-[(propan-2-yl)amino]-4H-1-benzothiopyran-4-one
Compound characteristics
| Compound ID: | Z606-3569 |
| Compound Name: | 3-[(propan-2-yl)amino]-4H-1-benzothiopyran-4-one |
| Molecular Weight: | 219.3 |
| Molecular Formula: | C12 H13 N O S |
| Smiles: | CC(C)NC1=CSc2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.8945 |
| logD: | 2.763 |
| logSw: | -3.7207 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.7492 |
| InChI Key: | BKFDRSLSLVBFIL-UHFFFAOYSA-N |