3-[(4-methoxyphenyl)methyl]-8-methyl-5-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-[(4-methoxyphenyl)methyl]-8-methyl-5-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
3-[(4-methoxyphenyl)methyl]-8-methyl-5-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | F394-0481 |
| Compound Name: | 3-[(4-methoxyphenyl)methyl]-8-methyl-5-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 508.58 |
| Molecular Formula: | C30 H28 N4 O4 |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(Cn1c2C(N(Cc3ccc(cc3)OC)C=Nc2c2cc(C)ccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3963 |
| logD: | 4.3963 |
| logSw: | -4.4351 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.48 |
| InChI Key: | HHLKYZZHNCXAFK-UHFFFAOYSA-N |