N-benzyl-N-methyl-5-[(4-methylbenzene-1-sulfonyl)amino]-2-[4-(2-phenylbutanoyl)-1,4-diazepan-1-yl]benzamide
Chemical Structure Depiction of
N-benzyl-N-methyl-5-[(4-methylbenzene-1-sulfonyl)amino]-2-[4-(2-phenylbutanoyl)-1,4-diazepan-1-yl]benzamide
N-benzyl-N-methyl-5-[(4-methylbenzene-1-sulfonyl)amino]-2-[4-(2-phenylbutanoyl)-1,4-diazepan-1-yl]benzamide
Compound characteristics
| Compound ID: | V025-1038 |
| Compound Name: | N-benzyl-N-methyl-5-[(4-methylbenzene-1-sulfonyl)amino]-2-[4-(2-phenylbutanoyl)-1,4-diazepan-1-yl]benzamide |
| Molecular Weight: | 638.83 |
| Molecular Formula: | C37 H42 N4 O4 S |
| Salt: | not_available |
| Smiles: | CCC(C(N1CCCN(CC1)c1ccc(cc1C(N(C)Cc1ccccc1)=O)NS(c1ccc(C)cc1)(=O)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7645 |
| logD: | 6.7486 |
| logSw: | -5.6771 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.977 |
| InChI Key: | WKWQQQDZZPWHAX-MGBGTMOVSA-N |