3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-N-{3-[(propan-2-yl)oxy]propyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-N-{3-[(propan-2-yl)oxy]propyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-N-{3-[(propan-2-yl)oxy]propyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-3881 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-N-{3-[(propan-2-yl)oxy]propyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C23 H25 N3 O5 S |
| Smiles: | CC(C)OCCCNC(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1134 |
| logD: | 3.1126 |
| logSw: | -3.4534 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.161 |
| InChI Key: | ZVUUDGOUIQJCGY-UHFFFAOYSA-N |