N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(8-methoxy-5-methyl-4-oxo-3-propyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(8-methoxy-5-methyl-4-oxo-3-propyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(8-methoxy-5-methyl-4-oxo-3-propyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | L880-0185 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(8-methoxy-5-methyl-4-oxo-3-propyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 494.57 |
| Molecular Formula: | C25 H26 N4 O5 S |
| Smiles: | CCCN1C(=Nc2c3cc(ccc3n(C)c2C1=O)OC)SCC(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9831 |
| logD: | 2.9831 |
| logSw: | -3.4512 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.208 |
| InChI Key: | PBYNQWAVFDGDGY-UHFFFAOYSA-N |