2-[(prop-2-yn-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
2-[(prop-2-yn-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
2-[(prop-2-yn-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 4209-0017 |
| Compound Name: | 2-[(prop-2-yn-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 336.45 |
| Molecular Formula: | C20 H20 N2 O S |
| Smiles: | C#CCSC1NC(C2=C(c3ccccc3CC23CCCCC3)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.997 |
| logD: | 3.8545 |
| logSw: | -4.215 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.551 |
| InChI Key: | NKYSCVCHOFSWQV-UHFFFAOYSA-N |