4-{[(4-bromophenyl)methyl]sulfanyl}-2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Chemical Structure Depiction of
4-{[(4-bromophenyl)methyl]sulfanyl}-2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
4-{[(4-bromophenyl)methyl]sulfanyl}-2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Compound characteristics
| Compound ID: | F081-1044 |
| Compound Name: | 4-{[(4-bromophenyl)methyl]sulfanyl}-2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine |
| Molecular Weight: | 486.45 |
| Molecular Formula: | C22 H20 Br N3 O S2 |
| Smiles: | Cc1nc(c2c(c3cc4COC(C)(C)Cc4nc3s2)n1)SCc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.1428 |
| logD: | 6.1394 |
| logSw: | -5.6358 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.607 |
| InChI Key: | ZBNRCNXEGHTUDU-UHFFFAOYSA-N |