2-({7-[2-(cyclohex-1-en-1-yl)ethyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-({7-[2-(cyclohex-1-en-1-yl)ethyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
2-({7-[2-(cyclohex-1-en-1-yl)ethyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | K284-5104 |
| Compound Name: | 2-({7-[2-(cyclohex-1-en-1-yl)ethyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide |
| Molecular Weight: | 551.66 |
| Molecular Formula: | C29 H33 N3 O6 S |
| Smiles: | COc1ccc(CCNC(CSC2=Nc3cc4c(cc3C(N2CCC2CCCCC=2)=O)OCO4)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.0613 |
| logD: | 4.0613 |
| logSw: | -4.1806 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.631 |
| InChI Key: | VCHFMEUWAYTCTO-UHFFFAOYSA-N |