2-{[(4-chlorophenyl)methyl]sulfanyl}-3-[(thiophen-2-yl)methyl]pteridin-4(3H)-one
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]sulfanyl}-3-[(thiophen-2-yl)methyl]pteridin-4(3H)-one
2-{[(4-chlorophenyl)methyl]sulfanyl}-3-[(thiophen-2-yl)methyl]pteridin-4(3H)-one
Compound characteristics
| Compound ID: | E196-0400 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-[(thiophen-2-yl)methyl]pteridin-4(3H)-one |
| Molecular Weight: | 400.91 |
| Molecular Formula: | C18 H13 Cl N4 O S2 |
| Smiles: | C(c1cccs1)N1C(=Nc2c(C1=O)nccn2)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.643 |
| logD: | 3.643 |
| logSw: | -3.9901 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.322 |
| InChI Key: | MRIOIEYLXZHYPN-UHFFFAOYSA-N |