3-(4-methoxyphenyl)-2-sulfanylidene-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Chemical Structure Depiction of
3-(4-methoxyphenyl)-2-sulfanylidene-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
3-(4-methoxyphenyl)-2-sulfanylidene-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Compound characteristics
| Compound ID: | 8004-8194 |
| Compound Name: | 3-(4-methoxyphenyl)-2-sulfanylidene-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one |
| Molecular Weight: | 390.5 |
| Molecular Formula: | C23 H22 N2 O2 S |
| Smiles: | COc1ccc(cc1)N1C(C2=C(c3ccccc3CC23CCCC3)NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2777 |
| logD: | 4.1036 |
| logSw: | -4.2863 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.394 |
| InChI Key: | OFXSZXIZTOWHLK-UHFFFAOYSA-N |