7-bromo-9-methoxy-2-(3,4,5-trimethoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Chemical Structure Depiction of
7-bromo-9-methoxy-2-(3,4,5-trimethoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
7-bromo-9-methoxy-2-(3,4,5-trimethoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Compound characteristics
| Compound ID: | C766-0363 |
| Compound Name: | 7-bromo-9-methoxy-2-(3,4,5-trimethoxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione |
| Molecular Weight: | 491.36 |
| Molecular Formula: | C21 H19 Br N2 O5 S |
| Smiles: | COc1cc(cc2CC3=C(N=C(c4cc(c(c(c4)OC)OC)OC)NC3=S)Oc12)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.2346 |
| logD: | 2.2136 |
| logSw: | -4.4146 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.928 |
| InChI Key: | UBEPDZDYHAFJGS-UHFFFAOYSA-N |