3-(3-methoxyphenyl)-N-(2-methylpropyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-(3-methoxyphenyl)-N-(2-methylpropyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
3-(3-methoxyphenyl)-N-(2-methylpropyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G858-0353 |
| Compound Name: | 3-(3-methoxyphenyl)-N-(2-methylpropyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 518.59 |
| Molecular Formula: | C27 H26 N4 O5 S |
| Smiles: | CC(C)CNC(c1ccc2C(N(C(=Nc2c1)SCc1ccc(cc1)[N+]([O-])=O)c1cccc(c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3915 |
| logD: | 4.3915 |
| logSw: | -4.2904 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.77 |
| InChI Key: | TUYHSITXXGPWMO-UHFFFAOYSA-N |