4-methyl-2-oxo-2H-1-benzopyran-7-yl (carbamimidoylsulfanyl)acetate--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-methyl-2-oxo-2H-1-benzopyran-7-yl (carbamimidoylsulfanyl)acetate--hydrogen chloride (1/1)
4-methyl-2-oxo-2H-1-benzopyran-7-yl (carbamimidoylsulfanyl)acetate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8008-7315 |
| Compound Name: | 4-methyl-2-oxo-2H-1-benzopyran-7-yl (carbamimidoylsulfanyl)acetate--hydrogen chloride (1/1) |
| Molecular Weight: | 328.77 |
| Molecular Formula: | C13 H12 N2 O4 S |
| Salt: | HCl |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)OC(CSC(N)=N)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8367 |
| logD: | -0.1195 |
| logSw: | -2.4371 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.471 |
| InChI Key: | VHBFHDKAMSKYMC-UHFFFAOYSA-N |