3-(propan-2-yl)-2-sulfanylidene-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Chemical Structure Depiction of
3-(propan-2-yl)-2-sulfanylidene-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
3-(propan-2-yl)-2-sulfanylidene-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Compound characteristics
| Compound ID: | D325-0722 |
| Compound Name: | 3-(propan-2-yl)-2-sulfanylidene-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one |
| Molecular Weight: | 326.46 |
| Molecular Formula: | C19 H22 N2 O S |
| Smiles: | CC(C)N1C(C2=C(c3ccccc3CC23CCCC3)NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8315 |
| logD: | 3.8171 |
| logSw: | -3.9327 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.4542 |
| InChI Key: | MYCSIFLCMPXLBU-UHFFFAOYSA-N |