3-[(4-chlorophenyl)methyl]-N-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-N-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(4-chlorophenyl)methyl]-N-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-3574 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-N-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 578.13 |
| Molecular Formula: | C30 H32 Cl N5 O3 S |
| Smiles: | COc1ccccc1N1CCN(CCCNC(c2ccc3C(N(Cc4ccc(cc4)[Cl])C(Nc3c2)=S)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.5974 |
| logD: | 4.2227 |
| logSw: | -4.6424 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.145 |
| InChI Key: | HDDJHFSQDCYGIQ-UHFFFAOYSA-N |