7-[4-(5-chloro-2-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
7-[4-(5-chloro-2-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
7-[4-(5-chloro-2-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | V002-9211 |
| Compound Name: | 7-[4-(5-chloro-2-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 559.04 |
| Molecular Formula: | C25 H27 Cl N6 O5 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1OC)c1cnc2ncnn2c1N1CCCN(CC1)S(c1cc(ccc1OC)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2526 |
| logD: | 3.2451 |
| logSw: | -3.6989 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.989 |
| InChI Key: | BTDNNUDHGDJNFC-UHFFFAOYSA-N |