3-(4-methoxyphenyl)-5-[4-(3-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl][1,2,4]triazolo[4,3-c]quinazoline
Chemical Structure Depiction of
3-(4-methoxyphenyl)-5-[4-(3-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl][1,2,4]triazolo[4,3-c]quinazoline
3-(4-methoxyphenyl)-5-[4-(3-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl][1,2,4]triazolo[4,3-c]quinazoline
Compound characteristics
| Compound ID: | V003-7674 |
| Compound Name: | 3-(4-methoxyphenyl)-5-[4-(3-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl][1,2,4]triazolo[4,3-c]quinazoline |
| Molecular Weight: | 528.63 |
| Molecular Formula: | C28 H28 N6 O3 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)S(N1CCCN(CC1)c1nc2ccccc2c2nnc(c3ccc(cc3)OC)n12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2113 |
| logD: | 5.1502 |
| logSw: | -5.2967 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.387 |
| InChI Key: | JTUPYUYWHOQRLO-UHFFFAOYSA-N |