8-({3-[(2-chlorophenyl)methyl]-1,3-diazinan-1-yl}methyl)-7-hydroxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
8-({3-[(2-chlorophenyl)methyl]-1,3-diazinan-1-yl}methyl)-7-hydroxy-2H-1-benzopyran-2-one
8-({3-[(2-chlorophenyl)methyl]-1,3-diazinan-1-yl}methyl)-7-hydroxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D060-0182 |
| Compound Name: | 8-({3-[(2-chlorophenyl)methyl]-1,3-diazinan-1-yl}methyl)-7-hydroxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 384.86 |
| Molecular Formula: | C21 H21 Cl N2 O3 |
| Smiles: | C1CN(Cc2ccccc2[Cl])CN(C1)Cc1c(ccc2C=CC(=O)Oc12)O |
| Stereo: | ACHIRAL |
| logP: | 3.8112 |
| logD: | 3.5738 |
| logSw: | -3.7105 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.891 |
| InChI Key: | YEGNYWLTWMWQTI-UHFFFAOYSA-N |