3-[(furan-2-yl)methyl]-2-({2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl}sulfanyl)-4-oxo-N-{3-[(propan-2-yl)oxy]propyl}-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(furan-2-yl)methyl]-2-({2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl}sulfanyl)-4-oxo-N-{3-[(propan-2-yl)oxy]propyl}-3,4-dihydroquinazoline-7-carboxamide
3-[(furan-2-yl)methyl]-2-({2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl}sulfanyl)-4-oxo-N-{3-[(propan-2-yl)oxy]propyl}-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-4447 |
| Compound Name: | 3-[(furan-2-yl)methyl]-2-({2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl}sulfanyl)-4-oxo-N-{3-[(propan-2-yl)oxy]propyl}-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 538.63 |
| Molecular Formula: | C26 H30 N6 O5 S |
| Smiles: | CC(C)OCCCNC(c1ccc2C(N(Cc3ccco3)C(=Nc2c1)SCC(Nc1cc(C)[nH]n1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3756 |
| logD: | 2.3737 |
| logSw: | -3.1136 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 111.532 |
| InChI Key: | LVUCCVKMDSYYGV-UHFFFAOYSA-N |