N-(3-methylbutyl)-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide
Chemical Structure Depiction of
N-(3-methylbutyl)-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide
N-(3-methylbutyl)-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide
Compound characteristics
| Compound ID: | K284-5370 |
| Compound Name: | N-(3-methylbutyl)-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C22 H23 N3 O4 S |
| Smiles: | CC(C)CCNC(c1ccc(CN2C(c3cc4c(cc3NC2=S)OCO4)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8754 |
| logD: | 3.8683 |
| logSw: | -4.0591 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.96 |
| InChI Key: | YIYKQJDWQVYKLH-UHFFFAOYSA-N |