2-benzylidene-N-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
Chemical Structure Depiction of
2-benzylidene-N-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
2-benzylidene-N-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
Compound characteristics
| Compound ID: | F389-0976 |
| Compound Name: | 2-benzylidene-N-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide |
| Molecular Weight: | 434.52 |
| Molecular Formula: | C23 H22 N4 O3 S |
| Smiles: | Cc1c(CSCCNC(c2ccc3c(c2)NC(/C(=C/c2ccccc2)O3)=O)=O)nc[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.3396 |
| logD: | 2.9886 |
| logSw: | -3.7492 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.733 |
| InChI Key: | OYAQPFZTZBWTOH-UHFFFAOYSA-N |