3-[(4-chlorophenyl)methyl]-4-oxo-N-[2-(pyrrolidin-1-yl)ethyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-4-oxo-N-[2-(pyrrolidin-1-yl)ethyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(4-chlorophenyl)methyl]-4-oxo-N-[2-(pyrrolidin-1-yl)ethyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-3569 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-4-oxo-N-[2-(pyrrolidin-1-yl)ethyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 442.97 |
| Molecular Formula: | C22 H23 Cl N4 O2 S |
| Smiles: | C1CCN(C1)CCNC(c1ccc2C(N(Cc3ccc(cc3)[Cl])C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4856 |
| logD: | 2.0774 |
| logSw: | -4.1129 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.921 |
| InChI Key: | MDSLEOQUCYMIHS-UHFFFAOYSA-N |