6,7,8-trimethoxy-3-(4-nitrophenyl)-2-[(prop-2-en-1-yl)sulfanyl]quinazolin-4(3H)-one
Chemical Structure Depiction of
6,7,8-trimethoxy-3-(4-nitrophenyl)-2-[(prop-2-en-1-yl)sulfanyl]quinazolin-4(3H)-one
6,7,8-trimethoxy-3-(4-nitrophenyl)-2-[(prop-2-en-1-yl)sulfanyl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | V025-8743 |
| Compound Name: | 6,7,8-trimethoxy-3-(4-nitrophenyl)-2-[(prop-2-en-1-yl)sulfanyl]quinazolin-4(3H)-one |
| Molecular Weight: | 429.45 |
| Molecular Formula: | C20 H19 N3 O6 S |
| Smiles: | COc1cc2C(N(C(=Nc2c(c1OC)OC)SCC=C)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8196 |
| logD: | 3.8196 |
| logSw: | -4.0057 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.625 |
| InChI Key: | WNQOTLCLZQOYEC-UHFFFAOYSA-N |