N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3-phenyl-1-[(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3-phenyl-1-[(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3-phenyl-1-[(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0093 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3-phenyl-1-[(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 547.61 |
| Molecular Formula: | C33 H29 N3 O5 |
| Smiles: | Cc1cc(C)c(CN2C(N(C(c3ccc(cc23)C(NCc2ccc3c(c2)OCO3)=O)=O)c2ccccc2)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.6461 |
| logD: | 5.6461 |
| logSw: | -5.3979 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.184 |
| InChI Key: | SAAQCPLOCAEADK-UHFFFAOYSA-N |