3-benzyl-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-benzyl-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
3-benzyl-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-1102 |
| Compound Name: | 3-benzyl-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 543.64 |
| Molecular Formula: | C30 H29 N3 O5 S |
| Smiles: | COc1ccc(cc1)C(CSC1=Nc2cc(ccc2C(N1Cc1ccccc1)=O)C(NCC1CCCO1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6437 |
| logD: | 3.6436 |
| logSw: | -4.0825 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.629 |
| InChI Key: | SUAVSHMIOUSKIA-XMMPIXPASA-N |