N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-3305 |
| Compound Name: | N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 544.12 |
| Molecular Formula: | C27 H34 Cl N5 O3 S |
| Smiles: | CCOCCCN1C(c2ccc(cc2NC1=S)C(NCCCN1CCN(CC1)c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4815 |
| logD: | 2.9376 |
| logSw: | -3.9086 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.043 |
| InChI Key: | PPSOCJZCULQEQR-UHFFFAOYSA-N |