1-[2-(3-amino-5-methyl-1H-pyrazol-1-yl)-2-oxoethyl]-N-benzyl-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
1-[2-(3-amino-5-methyl-1H-pyrazol-1-yl)-2-oxoethyl]-N-benzyl-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
1-[2-(3-amino-5-methyl-1H-pyrazol-1-yl)-2-oxoethyl]-N-benzyl-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0259 |
| Compound Name: | 1-[2-(3-amino-5-methyl-1H-pyrazol-1-yl)-2-oxoethyl]-N-benzyl-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 472.5 |
| Molecular Formula: | C25 H24 N6 O4 |
| Smiles: | Cc1cc(N)nn1C(CN1C(N(CC=C)C(c2ccc(cc12)C(NCc1ccccc1)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4994 |
| logD: | 1.4994 |
| logSw: | -2.4998 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.571 |
| InChI Key: | BRPBWNDNTQMNCH-UHFFFAOYSA-N |