2-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4(3H)-one
2-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-0690 |
| Compound Name: | 2-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4(3H)-one |
| Molecular Weight: | 523.07 |
| Molecular Formula: | C27 H23 Cl N2 O3 S2 |
| Smiles: | COc1ccc(CCN2C(=Nc3ccccc3C2=O)SCc2csc3ccc(cc23)[Cl])cc1OC |
| Stereo: | ACHIRAL |
| logP: | 6.1043 |
| logD: | 6.1043 |
| logSw: | -5.9679 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.757 |
| InChI Key: | XHNRJXBVFGYVLZ-UHFFFAOYSA-N |