4-[8-chloro-3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-N-(prop-2-en-1-yl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-[8-chloro-3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-N-(prop-2-en-1-yl)-1,4-diazepane-1-carboxamide
4-[8-chloro-3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-N-(prop-2-en-1-yl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V003-7687 |
| Compound Name: | 4-[8-chloro-3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-N-(prop-2-en-1-yl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 506.95 |
| Molecular Formula: | C24 H23 Cl N8 O3 |
| Salt: | not_available |
| Smiles: | C=CCNC(N1CCCN(CC1)c1nc2cc(ccc2c2nnc(c3ccccc3[N+]([O-])=O)n12)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8706 |
| logD: | 3.8614 |
| logSw: | -4.3895 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.117 |
| InChI Key: | YNMGSIZRZFNCPI-UHFFFAOYSA-N |