methyl [4-(2-amino-3-cyano-4H-naphtho[1,2-b]pyran-4-yl)-5-bromo-2-methoxyphenoxy]acetate
Chemical Structure Depiction of
methyl [4-(2-amino-3-cyano-4H-naphtho[1,2-b]pyran-4-yl)-5-bromo-2-methoxyphenoxy]acetate
methyl [4-(2-amino-3-cyano-4H-naphtho[1,2-b]pyran-4-yl)-5-bromo-2-methoxyphenoxy]acetate
Compound characteristics
| Compound ID: | 5857-0220 |
| Compound Name: | methyl [4-(2-amino-3-cyano-4H-naphtho[1,2-b]pyran-4-yl)-5-bromo-2-methoxyphenoxy]acetate |
| Molecular Weight: | 495.33 |
| Molecular Formula: | C24 H19 Br N2 O5 |
| Smiles: | COC(COc1cc(c(cc1OC)C1C(C#N)=C(N)Oc2c1ccc1ccccc12)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3926 |
| logD: | 3.3926 |
| logSw: | -4.0271 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.502 |
| InChI Key: | LNPKSAPBBDIYBS-QFIPXVFZSA-N |