2-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
2-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | C200-7967 |
| Compound Name: | 2-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C22 H22 N4 O4 S |
| Smiles: | COc1cc2c3c(C(N(CC(NCc4ccc(cc4)SC)=O)C=N3)=O)[nH]c2cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.0236 |
| logD: | 2.0236 |
| logSw: | -2.8399 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.029 |
| InChI Key: | UWULDNVQAAGMGG-UHFFFAOYSA-N |