N-[(furan-2-yl)methyl]-4-{[2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-4-{[2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
N-[(furan-2-yl)methyl]-4-{[2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4794 |
| Compound Name: | N-[(furan-2-yl)methyl]-4-{[2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 532.62 |
| Molecular Formula: | C28 H28 N4 O5 S |
| Smiles: | C1CC(CCC1CN1C(=Nc2ccccc2C1=O)SCc1ccc(cc1)[N+]([O-])=O)C(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9215 |
| logD: | 4.9215 |
| logSw: | -4.874 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.507 |
| InChI Key: | NCMWYRGEXVHBFO-UHFFFAOYSA-N |