N-(cyclopropylmethyl)-4-methoxy-2-[4-(2-nitrophenyl)piperazin-1-yl]pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(cyclopropylmethyl)-4-methoxy-2-[4-(2-nitrophenyl)piperazin-1-yl]pyrimidine-5-carboxamide
N-(cyclopropylmethyl)-4-methoxy-2-[4-(2-nitrophenyl)piperazin-1-yl]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | V023-3940 |
| Compound Name: | N-(cyclopropylmethyl)-4-methoxy-2-[4-(2-nitrophenyl)piperazin-1-yl]pyrimidine-5-carboxamide |
| Molecular Weight: | 412.45 |
| Molecular Formula: | C20 H24 N6 O4 |
| Smiles: | COc1c(cnc(n1)N1CCN(CC1)c1ccccc1[N+]([O-])=O)C(NCC1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0471 |
| logD: | 3.0471 |
| logSw: | -3.4994 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.989 |
| InChI Key: | YICMRUPMSZUDQT-UHFFFAOYSA-N |