2-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-3-ethyl-8-methoxy-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
2-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-3-ethyl-8-methoxy-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
2-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-3-ethyl-8-methoxy-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | L880-0111 |
| Compound Name: | 2-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-3-ethyl-8-methoxy-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C20 H22 N4 O3 S |
| Smiles: | CCN1C(=Nc2c3cc(ccc3n(C)c2C1=O)OC)SCc1c(C)noc1C |
| Stereo: | ACHIRAL |
| logP: | 3.3195 |
| logD: | 3.3195 |
| logSw: | -3.6774 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.02 |
| InChI Key: | IYEDHLBDFOYKTB-UHFFFAOYSA-N |