3-(cyclopentylmethyl)-2-[(prop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
3-(cyclopentylmethyl)-2-[(prop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
3-(cyclopentylmethyl)-2-[(prop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 4164-0129 |
| Compound Name: | 3-(cyclopentylmethyl)-2-[(prop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 420.62 |
| Molecular Formula: | C26 H32 N2 O S |
| Smiles: | C=CCSC1=NC2=C(C(N1CC1CCCC1)=O)C1(CCCCC1)Cc1ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.615 |
| logD: | 6.615 |
| logSw: | -6.0037 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.3788 |
| InChI Key: | YKNCQYTYHBMPBK-UHFFFAOYSA-N |