2-[(3-chlorophenyl)methylidene]-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-[(3-chlorophenyl)methylidene]-N-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
2-[(3-chlorophenyl)methylidene]-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: | F389-0768 |
| Compound Name: | 2-[(3-chlorophenyl)methylidene]-N-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide |
| Molecular Weight: | 468.96 |
| Molecular Formula: | C23 H21 Cl N4 O3 S |
| Smiles: | Cc1c(CSCCNC(c2ccc3c(c2)NC(/C(=C/c2cccc(c2)[Cl])O3)=O)=O)nc[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.8742 |
| logD: | 3.5233 |
| logSw: | -4.4583 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.733 |
| InChI Key: | LQKHOVWDPHLAOD-UHFFFAOYSA-N |