4-[8-chloro-3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-N-ethyl-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-[8-chloro-3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-N-ethyl-1,4-diazepane-1-carboxamide
4-[8-chloro-3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-N-ethyl-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V021-9530 |
| Compound Name: | 4-[8-chloro-3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-N-ethyl-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 455.97 |
| Molecular Formula: | C21 H22 Cl N7 O S |
| Salt: | not_available |
| Smiles: | CCNC(N1CCCN(CC1)c1nc2cc(ccc2c2nnc(c3cccs3)n12)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1886 |
| logD: | 4.15 |
| logSw: | -4.4443 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.839 |
| InChI Key: | VAOZUIJADDSKCL-UHFFFAOYSA-N |