methyl 2-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
methyl 2-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-1308 |
| Compound Name: | methyl 2-{[(5-chloro-1-benzothiophen-3-yl)methyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 600.13 |
| Molecular Formula: | C27 H22 Cl N3 O5 S3 |
| Smiles: | COC(c1ccc2C(N(CCc3ccc(cc3)S(N)(=O)=O)C(=Nc2c1)SCc1csc2ccc(cc12)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2393 |
| logD: | 5.2386 |
| logSw: | -5.5278 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.273 |
| InChI Key: | CKEXCIYAPBSEJK-UHFFFAOYSA-N |