2-(butylsulfanyl)-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
2-(butylsulfanyl)-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
2-(butylsulfanyl)-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 4184-0073 |
| Compound Name: | 2-(butylsulfanyl)-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 394.58 |
| Molecular Formula: | C24 H30 N2 O S |
| Smiles: | CCCCSC1=NC2=C(C(N1CC=C)=O)C1(CCCCC1)Cc1ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.2227 |
| logD: | 6.2227 |
| logSw: | -5.3664 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.0706 |
| InChI Key: | QPMLYPXHSWZKFJ-UHFFFAOYSA-N |