methyl 4-oxo-3-(3-{[2-(4-phenylpiperazin-1-yl)ethyl]carbamoyl}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-(3-{[2-(4-phenylpiperazin-1-yl)ethyl]carbamoyl}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-(3-{[2-(4-phenylpiperazin-1-yl)ethyl]carbamoyl}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0448 |
| Compound Name: | methyl 4-oxo-3-(3-{[2-(4-phenylpiperazin-1-yl)ethyl]carbamoyl}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 543.64 |
| Molecular Formula: | C29 H29 N5 O4 S |
| Smiles: | COC(c1ccc2C(N(C(Nc2c1)=S)c1cccc(c1)C(NCCN1CCN(CC1)c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3722 |
| logD: | 3.3193 |
| logSw: | -3.7032 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.378 |
| InChI Key: | DFJJXQRSPRVDQL-UHFFFAOYSA-N |