2-[(4-amino-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-bromophenyl)ethan-1-one
Chemical Structure Depiction of
2-[(4-amino-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-bromophenyl)ethan-1-one
2-[(4-amino-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-bromophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8016-6755 |
| Compound Name: | 2-[(4-amino-8,8-dimethyl-8,9-dihydro-6H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-bromophenyl)ethan-1-one |
| Molecular Weight: | 459.36 |
| Molecular Formula: | C20 H19 Br N4 O2 S |
| Smiles: | CC1(C)Cc2c(CO1)cc1c(N)nc(nc1n2)SCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4114 |
| logD: | 4.3743 |
| logSw: | -4.6175 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.979 |
| InChI Key: | VJPJOUIWRXFAHJ-UHFFFAOYSA-N |