N-cyclopentyl-3-(3-fluorophenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-3-(3-fluorophenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
N-cyclopentyl-3-(3-fluorophenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G858-0065 |
| Compound Name: | N-cyclopentyl-3-(3-fluorophenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 518.57 |
| Molecular Formula: | C27 H23 F N4 O4 S |
| Smiles: | C1CCC(C1)NC(c1ccc2C(N(C(=Nc2c1)SCc1ccc(cc1)[N+]([O-])=O)c1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5952 |
| logD: | 4.5952 |
| logSw: | -4.5899 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.046 |
| InChI Key: | UIEWILWFCZWREQ-UHFFFAOYSA-N |