N-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-3-(1H-indol-3-yl)propanamide
Chemical Structure Depiction of
N-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-3-(1H-indol-3-yl)propanamide
N-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-3-(1H-indol-3-yl)propanamide
Compound characteristics
| Compound ID: | K284-2537 |
| Compound Name: | N-[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-3-(1H-indol-3-yl)propanamide |
| Molecular Weight: | 557.03 |
| Molecular Formula: | C28 H21 Cl N6 O3 S |
| Smiles: | C(Cc1c[nH]c2ccccc12)C(NN1C(=Nc2ccccc2C1=O)SCC1=CC(N2C=C(C=CC2=N1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4966 |
| logD: | 2.4955 |
| logSw: | -3.5407 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.335 |
| InChI Key: | VUIVFTKMKPYXSR-UHFFFAOYSA-N |