N-cyclohexyl-4-(3-methylbutyl)-1,5-dioxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-cyclohexyl-4-(3-methylbutyl)-1,5-dioxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-cyclohexyl-4-(3-methylbutyl)-1,5-dioxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F470-0500 |
| Compound Name: | N-cyclohexyl-4-(3-methylbutyl)-1,5-dioxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 496.61 |
| Molecular Formula: | C26 H36 N6 O4 |
| Smiles: | CC(C)CCN1C2=NN(CC(NC(C)C)=O)C(N2c2cc(ccc2C1=O)C(NC1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.196 |
| logD: | 3.196 |
| logSw: | -3.6001 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.041 |
| InChI Key: | MXDUTAWQHSQWQP-UHFFFAOYSA-N |