3-benzyl-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-benzyl-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-benzyl-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: | F394-0419 |
| Compound Name: | 3-benzyl-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: | 478.55 |
| Molecular Formula: | C29 H26 N4 O3 |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(Cn1c2C(N(Cc3ccccc3)C=Nc2c2cc(C)ccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4139 |
| logD: | 4.4139 |
| logSw: | -4.3931 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.937 |
| InChI Key: | AARBMQWSDJPPQT-UHFFFAOYSA-N |