8-chloro-5-[4-(3-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-(3-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazoline
8-chloro-5-[4-(3-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazoline
Compound characteristics
| Compound ID: | V025-0349 |
| Compound Name: | 8-chloro-5-[4-(3-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: | Cc1cccc(c1)c1nnc2c3ccc(cc3nc(N3CCCN(CC3)S(c3cccc(C)c3)(=O)=O)n12)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.5038 |
| logD: | 6.2231 |
| logSw: | -6.4581 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.843 |
| InChI Key: | ICNXIHUNDQIATJ-UHFFFAOYSA-N |