methyl 2-(2-{[3-(4-{[(furan-2-yl)methyl]amino}-4-oxobutyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[3-(4-{[(furan-2-yl)methyl]amino}-4-oxobutyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[3-(4-{[(furan-2-yl)methyl]amino}-4-oxobutyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | K284-4643 |
| Compound Name: | methyl 2-(2-{[3-(4-{[(furan-2-yl)methyl]amino}-4-oxobutyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 534.59 |
| Molecular Formula: | C27 H26 N4 O6 S |
| Smiles: | COC(c1ccccc1NC(CSC1=Nc2ccccc2C(N1CCCC(NCc1ccco1)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5302 |
| logD: | 2.5219 |
| logSw: | -2.9991 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.595 |
| InChI Key: | BTCWSWYBPMHYTF-UHFFFAOYSA-N |