2-[(8-methoxy-5-methyl-4-oxo-3-propyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[(8-methoxy-5-methyl-4-oxo-3-propyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
2-[(8-methoxy-5-methyl-4-oxo-3-propyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | L880-0194 |
| Compound Name: | 2-[(8-methoxy-5-methyl-4-oxo-3-propyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 480.59 |
| Molecular Formula: | C25 H28 N4 O4 S |
| Smiles: | CCCN1C(=Nc2c3cc(ccc3n(C)c2C1=O)OC)SCC(NCc1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7892 |
| logD: | 3.7892 |
| logSw: | -3.9964 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.251 |
| InChI Key: | RDBISHKXXYKJAI-UHFFFAOYSA-N |