8-methoxy-3,5-dimethyl-2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
8-methoxy-3,5-dimethyl-2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
8-methoxy-3,5-dimethyl-2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | L880-0319 |
| Compound Name: | 8-methoxy-3,5-dimethyl-2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 464.54 |
| Molecular Formula: | C24 H24 N4 O4 S |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CSC1=Nc2c3cc(ccc3n(C)c2C(N1C)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2516 |
| logD: | 3.2516 |
| logSw: | -3.4561 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.031 |
| InChI Key: | QEPXBRCQKKYBCI-UHFFFAOYSA-N |