4-(3-benzyl-8-chloro[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-N-ethyl-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-(3-benzyl-8-chloro[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-N-ethyl-1,4-diazepane-1-carboxamide
4-(3-benzyl-8-chloro[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-N-ethyl-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V022-7969 |
| Compound Name: | 4-(3-benzyl-8-chloro[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-N-ethyl-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 463.97 |
| Molecular Formula: | C24 H26 Cl N7 O |
| Salt: | not_available |
| Smiles: | CCNC(N1CCCN(CC1)c1nc2cc(ccc2c2nnc(Cc3ccccc3)n12)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1011 |
| logD: | 4.0858 |
| logSw: | -4.3363 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.797 |
| InChI Key: | UJXFHZZZDPBQFQ-UHFFFAOYSA-N |