N-benzyl-2-{[2,2-dimethyl-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{[2,2-dimethyl-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}acetamide
N-benzyl-2-{[2,2-dimethyl-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8640-0651 |
| Compound Name: | N-benzyl-2-{[2,2-dimethyl-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}acetamide |
| Molecular Weight: | 492.66 |
| Molecular Formula: | C26 H28 N4 O2 S2 |
| Smiles: | CC(C)c1c2COC(C)(C)Cc2c2c3c(c(ncn3)SCC(NCc3ccccc3)=O)sc2n1 |
| Stereo: | ACHIRAL |
| logP: | 6.0861 |
| logD: | 6.0861 |
| logSw: | -5.8432 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.974 |
| InChI Key: | LXAIJYIHXVPCQG-UHFFFAOYSA-N |