methyl 4-{[3-carbamoyl-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[3-carbamoyl-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate
methyl 4-{[3-carbamoyl-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate
Compound characteristics
| Compound ID: | K227-0118 |
| Compound Name: | methyl 4-{[3-carbamoyl-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate |
| Molecular Weight: | 367.36 |
| Molecular Formula: | C19 H17 N3 O5 |
| Smiles: | Cc1c2c(C=C(/C(=N/c3ccc(cc3)C(=O)OC)O2)C(N)=O)c(CO)cn1 |
| Stereo: | ACHIRAL |
| logP: | 0.9476 |
| logD: | 0.9476 |
| logSw: | -1.6486 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.691 |
| InChI Key: | DUVRGWUUROHKMM-UHFFFAOYSA-N |