methyl 4-oxo-3-(4-{[2-(pyrrolidin-1-yl)ethyl]carbamoyl}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-(4-{[2-(pyrrolidin-1-yl)ethyl]carbamoyl}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-(4-{[2-(pyrrolidin-1-yl)ethyl]carbamoyl}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0384 |
| Compound Name: | methyl 4-oxo-3-(4-{[2-(pyrrolidin-1-yl)ethyl]carbamoyl}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C23 H24 N4 O4 S |
| Smiles: | COC(c1ccc2C(N(C(Nc2c1)=S)c1ccc(cc1)C(NCCN1CCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2701 |
| logD: | 0.8619 |
| logSw: | -3.0786 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.484 |
| InChI Key: | VLHRQOAHQFDMQJ-UHFFFAOYSA-N |