2-[(1-imino-9,9-dimethyl-2,5-diphenyl-6-sulfanylidene-2,5,6,7,9,10-hexahydro-1H-pyrano[4',3':4,5]pyrido[2,3-d]pyrimidin-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
2-[(1-imino-9,9-dimethyl-2,5-diphenyl-6-sulfanylidene-2,5,6,7,9,10-hexahydro-1H-pyrano[4',3':4,5]pyrido[2,3-d]pyrimidin-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
2-[(1-imino-9,9-dimethyl-2,5-diphenyl-6-sulfanylidene-2,5,6,7,9,10-hexahydro-1H-pyrano[4',3':4,5]pyrido[2,3-d]pyrimidin-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | 6030-1650 |
| Compound Name: | 2-[(1-imino-9,9-dimethyl-2,5-diphenyl-6-sulfanylidene-2,5,6,7,9,10-hexahydro-1H-pyrano[4',3':4,5]pyrido[2,3-d]pyrimidin-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 593.77 |
| Molecular Formula: | C33 H31 N5 O2 S2 |
| Smiles: | Cc1ccc(cc1)NC(CSC1=NC2=C(C3CC(C)(C)OCC=3C(N2c2ccccc2)=S)C(=N)N1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9871 |
| logD: | 5.3382 |
| logSw: | -5.5244 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.873 |
| InChI Key: | LRSJAJSFTWOAEA-UHFFFAOYSA-N |