methyl 3-{[7-(ethylcarbamamido)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl]amino}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[7-(ethylcarbamamido)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl]amino}thiophene-2-carboxylate
methyl 3-{[7-(ethylcarbamamido)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl]amino}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | S555-1043 |
| Compound Name: | methyl 3-{[7-(ethylcarbamamido)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl]amino}thiophene-2-carboxylate |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C19 H22 N4 O5 S |
| Smiles: | CCNC(Nc1ccc2c(CN(CCO2)C(Nc2ccsc2C(=O)OC)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.788 |
| logD: | 2.787 |
| logSw: | -3.3768 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.669 |
| InChI Key: | FQTQENHUOSIKIP-UHFFFAOYSA-N |