3-[(2-chlorophenyl)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-[(2-chlorophenyl)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-[(2-chlorophenyl)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: | F394-0181 |
| Compound Name: | 3-[(2-chlorophenyl)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: | 498.97 |
| Molecular Formula: | C28 H23 Cl N4 O3 |
| Smiles: | [H]c1ccc2c(c1)c1c(C(N(Cc3ccccc3[Cl])C=N1)=O)n2CC(N1CCOc2ccc(C)cc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6626 |
| logD: | 4.6626 |
| logSw: | -4.7736 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.937 |
| InChI Key: | GPWKMIHXHHBQHZ-UHFFFAOYSA-N |