N~1~,N~3~-dibenzyl-2-{[7-{[(furan-2-yl)methyl]carbamoyl}-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}propanediamide
Chemical Structure Depiction of
N~1~,N~3~-dibenzyl-2-{[7-{[(furan-2-yl)methyl]carbamoyl}-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}propanediamide
N~1~,N~3~-dibenzyl-2-{[7-{[(furan-2-yl)methyl]carbamoyl}-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}propanediamide
Compound characteristics
| Compound ID: | K284-1075 |
| Compound Name: | N~1~,N~3~-dibenzyl-2-{[7-{[(furan-2-yl)methyl]carbamoyl}-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}propanediamide |
| Molecular Weight: | 621.72 |
| Molecular Formula: | C34 H31 N5 O5 S |
| Smiles: | C=CCN1C(=Nc2cc(ccc2C1=O)C(NCc1ccco1)=O)SC(C(NCc1ccccc1)=O)C(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6985 |
| logD: | 3.6984 |
| logSw: | -4.0741 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.281 |
| InChI Key: | ZUCANEWFMVDPSQ-UHFFFAOYSA-N |