8-chloro-5-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazoline
Chemical Structure Depiction of
8-chloro-5-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazoline
8-chloro-5-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazoline
Compound characteristics
| Compound ID: | V025-0337 |
| Compound Name: | 8-chloro-5-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazoline |
| Molecular Weight: | 547.08 |
| Molecular Formula: | C28 H27 Cl N6 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)S(N1CCCN(CC1)c1nc2cc(ccc2c2nnc(c3cccc(C)c3)n12)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5024 |
| logD: | 6.2217 |
| logSw: | -6.4581 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.843 |
| InChI Key: | MZOCNJQDTNIHCE-UHFFFAOYSA-N |