2-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]ethyl 3-nitrobenzoate
Chemical Structure Depiction of
2-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]ethyl 3-nitrobenzoate
2-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]ethyl 3-nitrobenzoate
Compound characteristics
| Compound ID: | Y020-5599 |
| Compound Name: | 2-[(4,6,7-trimethylquinazolin-2-yl)sulfanyl]ethyl 3-nitrobenzoate |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C20 H19 N3 O4 S |
| Smiles: | Cc1cc2c(C)nc(nc2cc1C)SCCOC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3459 |
| logD: | 5.3459 |
| logSw: | -5.5128 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.981 |
| InChI Key: | QELQZDDMYXYDPS-UHFFFAOYSA-N |