methyl 3-{[7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl]amino}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl]amino}thiophene-2-carboxylate
methyl 3-{[7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl]amino}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | S555-2010 |
| Compound Name: | methyl 3-{[7-(dimethylamino)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl]amino}thiophene-2-carboxylate |
| Molecular Weight: | 375.44 |
| Molecular Formula: | C18 H21 N3 O4 S |
| Smiles: | CN(C)c1ccc2c(CN(CCO2)C(Nc2ccsc2C(=O)OC)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.2021 |
| logD: | 3.1946 |
| logSw: | -3.3604 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.951 |
| InChI Key: | KQEXFBJFMYITCV-UHFFFAOYSA-N |