ethyl ({3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetate
ethyl ({3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | K284-1552 |
| Compound Name: | ethyl ({3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetate |
| Molecular Weight: | 567.62 |
| Molecular Formula: | C28 H29 N3 O8 S |
| Smiles: | CCOC(CSC1=Nc2cc(ccc2C(N1Cc1ccc2c(c1)OCO2)=O)C(N1CCC2(CC1)OCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4594 |
| logD: | 2.4594 |
| logSw: | -2.9671 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 94.402 |
| InChI Key: | DTTLOUDZAIHQBV-UHFFFAOYSA-N |