6-{4-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]-1,4-diazepan-1-yl}-1,3-di(propan-2-yl)pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-{4-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]-1,4-diazepan-1-yl}-1,3-di(propan-2-yl)pyrimidine-2,4(1H,3H)-dione
6-{4-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]-1,4-diazepan-1-yl}-1,3-di(propan-2-yl)pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | L329-0849 |
| Compound Name: | 6-{4-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]-1,4-diazepan-1-yl}-1,3-di(propan-2-yl)pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 491.63 |
| Molecular Formula: | C28 H37 N5 O3 |
| Smiles: | CC(C)N1C(=CC(N(C(C)C)C1=O)=O)N1CCCN(CC1)C(c1ccc(cc1)n1c(C)ccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4201 |
| logD: | 3.4201 |
| logSw: | -3.4233 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.31 |
| InChI Key: | RRPRMZOOUQJXKK-UHFFFAOYSA-N |