7-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-oxobutyl}-5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Chemical Structure Depiction of
7-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-oxobutyl}-5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
7-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-oxobutyl}-5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Compound characteristics
| Compound ID: | C887-1175 |
| Compound Name: | 7-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-oxobutyl}-5-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one |
| Molecular Weight: | 467.95 |
| Molecular Formula: | C24 H26 Cl N5 O3 |
| Smiles: | CC1=NN(CCCC(N2CCN(CC2)c2cc(ccc2C)[Cl])=O)C(c2cc3c(cco3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1699 |
| logD: | 3.1685 |
| logSw: | -3.3043 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.178 |
| InChI Key: | ZFIVWKGRDRSVMI-UHFFFAOYSA-N |