methyl 2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxylate
methyl 2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-2077 |
| Compound Name: | methyl 2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 501.99 |
| Molecular Formula: | C24 H24 Cl N3 O5 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSC1=Nc2cc(ccc2C(N1CC1CCCO1)=O)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.29 |
| logD: | 4.2899 |
| logSw: | -4.5527 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.748 |
| InChI Key: | BVCAKYMIQZWIKM-QGZVFWFLSA-N |