4-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroquinazoline
Chemical Structure Depiction of
4-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroquinazoline
4-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroquinazoline
Compound characteristics
| Compound ID: | Y020-5947 |
| Compound Name: | 4-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroquinazoline |
| Molecular Weight: | 315.39 |
| Molecular Formula: | C16 H17 N3 O2 S |
| Smiles: | Cc1c2CCCCc2nc(n1)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.252 |
| logD: | 4.2518 |
| logSw: | -4.4358 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.64 |
| InChI Key: | HEKXEPVBOVKFRW-UHFFFAOYSA-N |