3-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6,7-dimethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6,7-dimethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6,7-dimethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | C200-0913 |
| Compound Name: | 3-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-6,7-dimethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C20 H25 N3 O6 S |
| Smiles: | COc1cc2C(N(CCC(N3CCC4(CC3)OCCO4)=O)C(Nc2cc1OC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6908 |
| logD: | 0.6639 |
| logSw: | -2.4442 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.386 |
| InChI Key: | LYWPKRACWSQMPB-UHFFFAOYSA-N |