4,8-bis(4-methoxyphenyl)-6-methyl-2-[(prop-2-en-1-yl)sulfanyl]-1,4,4a,5,6,7,7a,8-octahydro[1]benzopyrano[3,2-i]quinazoline-11,12-diol--hydrogen bromide (1/1)
Chemical Structure Depiction of
4,8-bis(4-methoxyphenyl)-6-methyl-2-[(prop-2-en-1-yl)sulfanyl]-1,4,4a,5,6,7,7a,8-octahydro[1]benzopyrano[3,2-i]quinazoline-11,12-diol--hydrogen bromide (1/1)
4,8-bis(4-methoxyphenyl)-6-methyl-2-[(prop-2-en-1-yl)sulfanyl]-1,4,4a,5,6,7,7a,8-octahydro[1]benzopyrano[3,2-i]quinazoline-11,12-diol--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8014-7559 |
| Compound Name: | 4,8-bis(4-methoxyphenyl)-6-methyl-2-[(prop-2-en-1-yl)sulfanyl]-1,4,4a,5,6,7,7a,8-octahydro[1]benzopyrano[3,2-i]quinazoline-11,12-diol--hydrogen bromide (1/1) |
| Molecular Weight: | 653.64 |
| Molecular Formula: | C33 H36 N2 O5 S |
| Salt: | HBr |
| Smiles: | CC1CC2C(c3ccc(cc3)OC)c3ccc(c(c3OC23C(C1)C(c1ccc(cc1)OC)N=C(N3)SCC=C)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.6384 |
| logD: | 7.6303 |
| logSw: | -5.6821 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.237 |
| InChI Key: | IOTDTFACAVPCSM-UHFFFAOYSA-N |