2-(4-bromophenyl)-9-methyl-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Chemical Structure Depiction of
2-(4-bromophenyl)-9-methyl-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
2-(4-bromophenyl)-9-methyl-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Compound characteristics
| Compound ID: | C766-0216 |
| Compound Name: | 2-(4-bromophenyl)-9-methyl-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione |
| Molecular Weight: | 385.28 |
| Molecular Formula: | C18 H13 Br N2 O S |
| Smiles: | Cc1cccc2CC3=C(N=C(c4ccc(cc4)[Br])NC3=S)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 5.3164 |
| logD: | 3.9807 |
| logSw: | -5.4612 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.3192 |
| InChI Key: | SGAUXDSQDKQYQY-UHFFFAOYSA-N |