2-(4-methylbenzene-1-sulfonyl)-3-[2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Chemical Structure Depiction of
2-(4-methylbenzene-1-sulfonyl)-3-[2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
2-(4-methylbenzene-1-sulfonyl)-3-[2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Compound characteristics
| Compound ID: | Y070-2052 |
| Compound Name: | 2-(4-methylbenzene-1-sulfonyl)-3-[2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C23 H23 N5 O3 S |
| Smiles: | Cc1ccc(cc1)S(C(=C\C1=C(N=C2C=CC=CN2C1=O)N1CCN(C)CC1)\C#N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0203 |
| logD: | 1.6803 |
| logSw: | -2.4587 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.065 |
| InChI Key: | PRAAHAXNESPUTR-UHFFFAOYSA-N |