N-(2,3-dihydro-1H-inden-5-yl)-4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1H-inden-5-yl)-4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-(2,3-dihydro-1H-inden-5-yl)-4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061349 |
| Compound Name: | N-(2,3-dihydro-1H-inden-5-yl)-4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 407.53 |
| Molecular Formula: | C23 H25 N3 O2 S |
| Smiles: | CCCCCN1C(c2ccc(cc2NC1=S)C(Nc1ccc2CCCc2c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5321 |
| logD: | 5.5207 |
| logSw: | -5.235 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.946 |
| InChI Key: | VTECBEVIXHLCGP-UHFFFAOYSA-N |