N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{2-[(3-methyl-1H-pyrazol-5-yl)amino]-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-[(3-methyl-1H-pyrazol-5-yl)amino]-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-[(3-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl}-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0155 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{2-[(3-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl}-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 516.51 |
| Molecular Formula: | C26 H24 N6 O6 |
| Smiles: | Cc1cc(NC(CN2C(N(CC=C)C(c3ccc(cc23)C(NCc2ccc3c(c2)OCO3)=O)=O)=O)=O)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 1.9249 |
| logD: | 1.9244 |
| logSw: | -2.9681 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 119.33 |
| InChI Key: | OTSABPKAKKUUDY-UHFFFAOYSA-N |