3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)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-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)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-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)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: | L690-0536 |
| Compound Name: | 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)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: | 496.53 |
| Molecular Formula: | C27 H24 N6 O4 |
| Smiles: | [H]c1ccc2c(c1)c1c(C(N(Cc3nc(C4CC4)no3)C=N1)=O)n2CC(N1CCOc2ccc(C)cc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3906 |
| logD: | 3.3906 |
| logSw: | -3.7069 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.803 |
| InChI Key: | YSGHVXPVIFITNH-UHFFFAOYSA-N |