N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-8-methyl-4H-[1]benzopyrano[3,4-d][1,2]oxazole-3-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-8-methyl-4H-[1]benzopyrano[3,4-d][1,2]oxazole-3-carboxamide--hydrogen chloride (1/1)
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-8-methyl-4H-[1]benzopyrano[3,4-d][1,2]oxazole-3-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | C066-4027 |
| Compound Name: | N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-8-methyl-4H-[1]benzopyrano[3,4-d][1,2]oxazole-3-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 503.43 |
| Molecular Formula: | C25 H27 Cl N4 O3 |
| Salt: | HCl |
| Smiles: | Cc1ccc2c(c1)c1c(CO2)c(C(NCCCN2CCN(CC2)c2cccc(c2)[Cl])=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.8936 |
| logD: | 3.3497 |
| logSw: | -4.3021 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.266 |
| InChI Key: | RNMRKXFNDKBQHG-UHFFFAOYSA-N |