methyl 3-[2-({3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl}amino)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[2-({3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl}amino)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[2-({3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl}amino)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0145 |
| Compound Name: | methyl 3-[2-({3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl}amino)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 523.65 |
| Molecular Formula: | C27 H33 N5 O4 S |
| Smiles: | CC1CN(CCCNC(CN2C(c3ccc(cc3NC2=S)C(=O)OC)=O)=O)CCN1c1cccc(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2048 |
| logD: | 2.6369 |
| logSw: | -3.3928 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.266 |
| InChI Key: | JDLMCKKQKWFIDY-IBGZPJMESA-N |