N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0091 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 617.66 |
| Molecular Formula: | C35 H31 N5 O6 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc2C(N(C(N(CC(N3CCN(CC3)c3ccccc3)=O)c2c1)=O)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1982 |
| logD: | 3.1981 |
| logSw: | -3.585 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.837 |
| InChI Key: | VFQWKLJBTUQBSN-UHFFFAOYSA-N |