3-benzyl-2-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-benzyl-2-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
3-benzyl-2-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-1104 |
| Compound Name: | 3-benzyl-2-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 541.67 |
| Molecular Formula: | C31 H31 N3 O4 S |
| Smiles: | Cc1ccc(C)c(c1)C(CSC1=Nc2cc(ccc2C(N1Cc1ccccc1)=O)C(NCC1CCCO1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6533 |
| logD: | 4.6533 |
| logSw: | -4.4301 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.086 |
| InChI Key: | VSABLTLVMWUXRU-XMMPIXPASA-N |