5-[4-(3-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazoline
Chemical Structure Depiction of
5-[4-(3-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazoline
5-[4-(3-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazoline
Compound characteristics
| Compound ID: | V008-1042 |
| Compound Name: | 5-[4-(3-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazoline |
| Molecular Weight: | 504.63 |
| Molecular Formula: | C25 H24 N6 O2 S2 |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)S(N1CCCN(CC1)c1nc2ccccc2c2nnc(c3cccs3)n12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9493 |
| logD: | 4.9107 |
| logSw: | -4.9079 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.861 |
| InChI Key: | FCMIHDAAGDTCEF-UHFFFAOYSA-N |