4-(3-methoxyphenyl)-6-oxo-2-{[1-oxo-1-(10H-phenothiazin-10-yl)butan-2-yl]sulfanyl}-1,6-dihydropyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(3-methoxyphenyl)-6-oxo-2-{[1-oxo-1-(10H-phenothiazin-10-yl)butan-2-yl]sulfanyl}-1,6-dihydropyrimidine-5-carbonitrile
4-(3-methoxyphenyl)-6-oxo-2-{[1-oxo-1-(10H-phenothiazin-10-yl)butan-2-yl]sulfanyl}-1,6-dihydropyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | 4715-0011 |
| Compound Name: | 4-(3-methoxyphenyl)-6-oxo-2-{[1-oxo-1-(10H-phenothiazin-10-yl)butan-2-yl]sulfanyl}-1,6-dihydropyrimidine-5-carbonitrile |
| Molecular Weight: | 526.64 |
| Molecular Formula: | C28 H22 N4 O3 S2 |
| Smiles: | CCC(C(N1c2ccccc2Sc2ccccc12)=O)SC1NC(C(C#N)=C(c2cccc(c2)OC)N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5803 |
| logD: | 2.4743 |
| logSw: | -5.3547 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.885 |
| InChI Key: | MTGHGAVCHQLNDR-QFIPXVFZSA-N |