methyl 4-(7-methyl-4-sulfanylidene-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoate
Chemical Structure Depiction of
methyl 4-(7-methyl-4-sulfanylidene-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoate
methyl 4-(7-methyl-4-sulfanylidene-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoate
Compound characteristics
| Compound ID: | C766-0766 |
| Compound Name: | methyl 4-(7-methyl-4-sulfanylidene-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoate |
| Molecular Weight: | 364.42 |
| Molecular Formula: | C20 H16 N2 O3 S |
| Smiles: | Cc1ccc2c(CC3=C(N=C(c4ccc(cc4)C(=O)OC)NC3=S)O2)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.3966 |
| logD: | 3.7705 |
| logSw: | -4.4239 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.809 |
| InChI Key: | WOMJZYSOJIYCAX-UHFFFAOYSA-N |