2-{[3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Chemical Structure Depiction of
2-{[3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
2-{[3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | G856-1051 |
| Compound Name: | 2-{[3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide |
| Molecular Weight: | 463.54 |
| Molecular Formula: | C22 H17 N5 O3 S2 |
| Smiles: | COc1ccc(cc1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(Nc1nccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1962 |
| logD: | 3.1959 |
| logSw: | -3.4643 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.289 |
| InChI Key: | BYHUNDMJQBZANQ-UHFFFAOYSA-N |