methyl 4-oxo-3-{3-[(pyrrolidin-1-yl)methyl]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-{3-[(pyrrolidin-1-yl)methyl]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-{3-[(pyrrolidin-1-yl)methyl]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0082 |
| Compound Name: | methyl 4-oxo-3-{3-[(pyrrolidin-1-yl)methyl]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C21 H21 N3 O3 S |
| Smiles: | COC(c1ccc2C(N(C(Nc2c1)=S)c1cccc(CN2CCCC2)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0573 |
| logD: | 0.4148 |
| logSw: | -3.463 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.979 |
| InChI Key: | QEMIMPLGBJFTIO-UHFFFAOYSA-N |