methyl 3-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carbonyl)amino]thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carbonyl)amino]thiophene-2-carboxylate
methyl 3-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carbonyl)amino]thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C849-0606 |
| Compound Name: | methyl 3-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carbonyl)amino]thiophene-2-carboxylate |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C20 H19 N3 O4 S |
| Smiles: | COC(c1c(ccs1)NC(c1ccc2C(N3CCCCCC3=Nc2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3985 |
| logD: | 1.6249 |
| logSw: | -3.1338 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.305 |
| InChI Key: | QEXRZHWPOMOKMO-UHFFFAOYSA-N |