7-chloro-4-(methylsulfanyl)-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidine
Chemical Structure Depiction of
7-chloro-4-(methylsulfanyl)-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidine
7-chloro-4-(methylsulfanyl)-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidine
Compound characteristics
| Compound ID: | C683-0152 |
| Compound Name: | 7-chloro-4-(methylsulfanyl)-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidine |
| Molecular Weight: | 340.83 |
| Molecular Formula: | C18 H13 Cl N2 O S |
| Smiles: | CSc1c2Cc3cc(ccc3Oc2nc(c2ccccc2)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.2787 |
| logD: | 6.2713 |
| logSw: | -6.2691 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.4022 |
| InChI Key: | ROCXALXJOBZMAT-UHFFFAOYSA-N |