(adamantan-1-yl)[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methanone
Chemical Structure Depiction of
(adamantan-1-yl)[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methanone
(adamantan-1-yl)[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methanone
Compound characteristics
| Compound ID: | G680-0055 |
| Compound Name: | (adamantan-1-yl)[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methanone |
| Molecular Weight: | 453.6 |
| Molecular Formula: | C25 H31 N3 O3 S |
| Smiles: | Cc1c(c(C)n(C(C23CC4CC(CC(C4)C3)C2)=O)n1)S(N1CCc2ccccc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3308 |
| logD: | 4.3308 |
| logSw: | -4.2621 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.258 |
| InChI Key: | IPFBPDDAKQYYQK-UHFFFAOYSA-N |