2-[(4-cyclopentylpiperazin-1-yl)methyl]-3-(3-methoxyphenyl)-6-nitroquinazolin-4(3H)-one
Chemical Structure Depiction of
2-[(4-cyclopentylpiperazin-1-yl)methyl]-3-(3-methoxyphenyl)-6-nitroquinazolin-4(3H)-one
2-[(4-cyclopentylpiperazin-1-yl)methyl]-3-(3-methoxyphenyl)-6-nitroquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | C284-0510 |
| Compound Name: | 2-[(4-cyclopentylpiperazin-1-yl)methyl]-3-(3-methoxyphenyl)-6-nitroquinazolin-4(3H)-one |
| Molecular Weight: | 463.54 |
| Molecular Formula: | C25 H29 N5 O4 |
| Smiles: | COc1cccc(c1)N1C(CN2CCN(CC2)C2CCCC2)=Nc2ccc(cc2C1=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.752 |
| logD: | 2.0102 |
| logSw: | -3.2811 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.983 |
| InChI Key: | YXPSYZHBMBJVMA-UHFFFAOYSA-N |