methyl 4-[3-(4-chlorophenyl)-6,7,8,9,10,11,12,13,14,15-decahydrocyclododeca[e]pyrazolo[1,5-a]pyrimidin-5-yl]benzoate
Chemical Structure Depiction of
methyl 4-[3-(4-chlorophenyl)-6,7,8,9,10,11,12,13,14,15-decahydrocyclododeca[e]pyrazolo[1,5-a]pyrimidin-5-yl]benzoate
methyl 4-[3-(4-chlorophenyl)-6,7,8,9,10,11,12,13,14,15-decahydrocyclododeca[e]pyrazolo[1,5-a]pyrimidin-5-yl]benzoate
Compound characteristics
| Compound ID: | 8019-9714 |
| Compound Name: | methyl 4-[3-(4-chlorophenyl)-6,7,8,9,10,11,12,13,14,15-decahydrocyclododeca[e]pyrazolo[1,5-a]pyrimidin-5-yl]benzoate |
| Molecular Weight: | 502.06 |
| Molecular Formula: | C30 H32 Cl N3 O2 |
| Smiles: | COC(c1ccc(cc1)C1C2CCCCCCCCCCC=2n2c(c(cn2)c2ccc(cc2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 8.9584 |
| logD: | 8.9584 |
| logSw: | -6.3891 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.44 |
| InChI Key: | MQLFGNZXYOUWSS-UHFFFAOYSA-N |