8-methoxy-5-methyl-2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-propyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
8-methoxy-5-methyl-2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-propyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
8-methoxy-5-methyl-2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-propyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | L880-0193 |
| Compound Name: | 8-methoxy-5-methyl-2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3-propyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 492.6 |
| Molecular Formula: | C26 H28 N4 O4 S |
| Smiles: | CCCN1C(=Nc2c3cc(ccc3n(C)c2C1=O)OC)SCC(N1CCOc2ccc(C)cc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2584 |
| logD: | 4.2584 |
| logSw: | -4.3099 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.244 |
| InChI Key: | WITVJMOMTCTIPG-UHFFFAOYSA-N |