N-cyclohexyl-1-{2-[(3-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl}-2,4-dioxo-3-[(oxolan-2-yl)methyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-cyclohexyl-1-{2-[(3-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl}-2,4-dioxo-3-[(oxolan-2-yl)methyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-cyclohexyl-1-{2-[(3-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl}-2,4-dioxo-3-[(oxolan-2-yl)methyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0318 |
| Compound Name: | N-cyclohexyl-1-{2-[(3-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl}-2,4-dioxo-3-[(oxolan-2-yl)methyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 508.58 |
| Molecular Formula: | C26 H32 N6 O5 |
| Smiles: | Cc1cc(NC(CN2C(N(CC3CCCO3)C(c3ccc(cc23)C(NC2CCCCC2)=O)=O)=O)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9033 |
| logD: | 1.9029 |
| logSw: | -2.9189 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 110.344 |
| InChI Key: | BTMDANMUOMTNGZ-LJQANCHMSA-N |