1-{4-[8-chloro-3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-methoxyethan-1-one
Chemical Structure Depiction of
1-{4-[8-chloro-3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-methoxyethan-1-one
1-{4-[8-chloro-3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | V003-7651 |
| Compound Name: | 1-{4-[8-chloro-3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-methoxyethan-1-one |
| Molecular Weight: | 495.92 |
| Molecular Formula: | C23 H22 Cl N7 O4 |
| Salt: | not_available |
| Smiles: | COCC(N1CCCN(CC1)c1nc2cc(ccc2c2nnc(c3ccccc3[N+]([O-])=O)n12)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0243 |
| logD: | 3.0183 |
| logSw: | -3.6688 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 91.029 |
| InChI Key: | OBSWAAYMZULGAY-UHFFFAOYSA-N |