{4-[8-chloro-3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(cyclopropyl)methanone
Chemical Structure Depiction of
{4-[8-chloro-3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(cyclopropyl)methanone
{4-[8-chloro-3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(cyclopropyl)methanone
Compound characteristics
| Compound ID: | V003-7710 |
| Compound Name: | {4-[8-chloro-3-(2-nitrophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(cyclopropyl)methanone |
| Molecular Weight: | 491.94 |
| Molecular Formula: | C24 H22 Cl N7 O3 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1nc2cc(ccc2c2nnc(c3ccccc3[N+]([O-])=O)n12)[Cl])C(C1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2993 |
| logD: | 4.2933 |
| logSw: | -4.6428 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 83.384 |
| InChI Key: | WRCTUSDSBVZGNH-UHFFFAOYSA-N |