methyl 4-{[5-(hydroxymethyl)-3-{[4-(methoxycarbonyl)phenyl]carbamoyl}-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[5-(hydroxymethyl)-3-{[4-(methoxycarbonyl)phenyl]carbamoyl}-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate
methyl 4-{[5-(hydroxymethyl)-3-{[4-(methoxycarbonyl)phenyl]carbamoyl}-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate
Compound characteristics
| Compound ID: | K227-0442 |
| Compound Name: | methyl 4-{[5-(hydroxymethyl)-3-{[4-(methoxycarbonyl)phenyl]carbamoyl}-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate |
| Molecular Weight: | 501.5 |
| Molecular Formula: | C27 H23 N3 O7 |
| Smiles: | Cc1c2c(C=C(/C(=N/c3ccc(cc3)C(=O)OC)O2)C(Nc2ccc(cc2)C(=O)OC)=O)c(CO)cn1 |
| Stereo: | ACHIRAL |
| logP: | 3.3357 |
| logD: | 3.3349 |
| logSw: | -3.4418 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.898 |
| InChI Key: | RLWNKZRJRSNDNM-UHFFFAOYSA-N |