N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-3-(thiophen-2-yl)prop-2-enamide
Chemical Structure Depiction of
N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-3-(thiophen-2-yl)prop-2-enamide
N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-3-(thiophen-2-yl)prop-2-enamide
Compound characteristics
| Compound ID: | C803-0357 |
| Compound Name: | N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-3-(thiophen-2-yl)prop-2-enamide |
| Molecular Weight: | 365.45 |
| Molecular Formula: | C20 H19 N3 O2 S |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(/C=C/c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0823 |
| logD: | 3.0822 |
| logSw: | -3.6047 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.616 |
| InChI Key: | MTSBNXBTYGYCMX-UHFFFAOYSA-N |