methyl 4-{2-[(2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | G857-0076 |
| Compound Name: | methyl 4-{2-[(2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 373.43 |
| Molecular Formula: | C18 H19 N3 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CSC1C2CCCCC=2NC(N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4536 |
| logD: | 2.4242 |
| logSw: | -2.7743 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.715 |
| InChI Key: | WSBFWAPYUNHRHX-UHFFFAOYSA-N |