2-(4-bromophenyl)-9-methoxy-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Chemical Structure Depiction of
2-(4-bromophenyl)-9-methoxy-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
2-(4-bromophenyl)-9-methoxy-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Compound characteristics
| Compound ID: | C766-0111 |
| Compound Name: | 2-(4-bromophenyl)-9-methoxy-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione |
| Molecular Weight: | 401.28 |
| Molecular Formula: | C18 H13 Br N2 O2 S |
| Smiles: | COc1cccc2CC3=C(N=C(c4ccc(cc4)[Br])NC3=S)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 4.688 |
| logD: | 4.688 |
| logSw: | -4.508 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.95 |
| InChI Key: | LMDPGPRYOWSDDG-UHFFFAOYSA-N |