methyl 3-({7-[3-(cyclopropylamino)-3-oxopropyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl}amino)thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-({7-[3-(cyclopropylamino)-3-oxopropyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl}amino)thiophene-2-carboxylate
methyl 3-({7-[3-(cyclopropylamino)-3-oxopropyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl}amino)thiophene-2-carboxylate
Compound characteristics
| Compound ID: | S629-1854 |
| Compound Name: | methyl 3-({7-[3-(cyclopropylamino)-3-oxopropyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl}amino)thiophene-2-carboxylate |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C22 H25 N3 O5 S |
| Smiles: | COC(c1c(ccs1)NC(N1CCOc2ccc(CCC(NC3CC3)=O)cc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9452 |
| logD: | 2.9442 |
| logSw: | -3.4747 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.402 |
| InChI Key: | UIERHIJPXXXLNZ-UHFFFAOYSA-N |