N-cyclopentyl-8-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-8-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
N-cyclopentyl-8-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | K233-0794 |
| Compound Name: | N-cyclopentyl-8-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide |
| Molecular Weight: | 561.73 |
| Molecular Formula: | C29 H31 N5 O3 S2 |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(c1ccc2C(NC3=C(C(NC4CCCC4)=O)SC(N3c2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.366 |
| logD: | 4.3659 |
| logSw: | -4.2123 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.088 |
| InChI Key: | CNNSEQNBDRIPRR-UHFFFAOYSA-N |