4-(1H-indol-3-yl)-N-[3-(methoxymethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl]butanamide
Chemical Structure Depiction of
4-(1H-indol-3-yl)-N-[3-(methoxymethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl]butanamide
4-(1H-indol-3-yl)-N-[3-(methoxymethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl]butanamide
Compound characteristics
| Compound ID: | S637-0593 |
| Compound Name: | 4-(1H-indol-3-yl)-N-[3-(methoxymethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl]butanamide |
| Molecular Weight: | 381.48 |
| Molecular Formula: | C21 H27 N5 O2 |
| Smiles: | COCc1nnc2CCC(CCn12)NC(CCCc1c[nH]c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3928 |
| logD: | 1.3919 |
| logSw: | -2.0282 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.538 |
| InChI Key: | ZOROATGMIMAKPV-INIZCTEOSA-N |