N-[(3-chlorophenyl)methyl]-3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(3-chlorophenyl)methyl]-3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-3293 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 431.94 |
| Molecular Formula: | C21 H22 Cl N3 O3 S |
| Smiles: | CCOCCCN1C(c2ccc(cc2NC1=S)C(NCc1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6692 |
| logD: | 3.6665 |
| logSw: | -4.1385 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.959 |
| InChI Key: | HCXUJAIKIIDZHH-UHFFFAOYSA-N |