ethyl 4-{[3-carbamothioyl-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[3-carbamothioyl-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate
ethyl 4-{[3-carbamothioyl-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate
Compound characteristics
| Compound ID: | C200-3111 |
| Compound Name: | ethyl 4-{[3-carbamothioyl-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene]amino}benzoate |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C20 H19 N3 O4 S |
| Smiles: | CCOC(c1ccc(cc1)/N=C1/C(=Cc2c(CO)cnc(C)c2O1)C(N)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2311 |
| logD: | 2.231 |
| logSw: | -2.591 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.665 |
| InChI Key: | PRFSRZUPJJWEKU-UHFFFAOYSA-N |