N-cyclopentyl-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(3-fluorophenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(3-fluorophenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
N-cyclopentyl-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(3-fluorophenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G858-0068 |
| Compound Name: | N-cyclopentyl-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(3-fluorophenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 501.62 |
| Molecular Formula: | C29 H28 F N3 O2 S |
| Smiles: | Cc1ccc(C)c(CSC2=Nc3cc(ccc3C(N2c2cccc(c2)F)=O)C(NC2CCCC2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.1746 |
| logD: | 6.1745 |
| logSw: | -5.4046 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.664 |
| InChI Key: | NMVDFYKBOQFFIL-UHFFFAOYSA-N |