N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0167 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 540.58 |
| Molecular Formula: | C30 H28 N4 O6 |
| Smiles: | Cc1ccc(c(C)c1)NC(CN1C(N(CC=C)C(c2ccc(cc12)C(NCc1ccc2c(c1)OCO2)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9387 |
| logD: | 3.9387 |
| logSw: | -3.9817 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.497 |
| InChI Key: | OOCPEGJYLPCACW-UHFFFAOYSA-N |