N-(3-chloro-4-methoxyphenyl)-N'-(3-methylphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-N'-(3-methylphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
N-(3-chloro-4-methoxyphenyl)-N'-(3-methylphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
Compound characteristics
| Compound ID: | G786-0795 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-N'-(3-methylphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea |
| Molecular Weight: | 439.94 |
| Molecular Formula: | C23 H26 Cl N5 O2 |
| Smiles: | Cc1cccc(c1)NC(N(Cc1nnc2CCCCCn12)c1ccc(c(c1)[Cl])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0795 |
| logD: | 4.0795 |
| logSw: | -4.4196 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.313 |
| InChI Key: | QKSQXATYJWOLGV-UHFFFAOYSA-N |