N-(2,4-dimethylphenyl)-N'-{6-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyridin-3-yl}urea
Chemical Structure Depiction of
N-(2,4-dimethylphenyl)-N'-{6-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyridin-3-yl}urea
N-(2,4-dimethylphenyl)-N'-{6-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyridin-3-yl}urea
Compound characteristics
| Compound ID: | V023-6278 |
| Compound Name: | N-(2,4-dimethylphenyl)-N'-{6-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]pyridin-3-yl}urea |
| Molecular Weight: | 493.63 |
| Molecular Formula: | C26 H31 N5 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)S(N1CCCN(CC1)c1ccc(cn1)NC(Nc1ccc(C)cc1C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.725 |
| logD: | 5.7249 |
| logSw: | -5.0951 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.747 |
| InChI Key: | YPWJJVOOJCPDPT-UHFFFAOYSA-N |