[[5-(cyclopropylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(propylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate
C135H147N29O33 — CID 158892184
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC[[5-(cyclopropylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(propylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate
SMILESCCCNC(=O)c1ccc(C)c(N(C(=O)OCOC(=O)C(C)NC(=O)OCc2ccccc2)c2ncnn3cc(C(=O)NCC)c(C)c23)c1.CCNC(=O)c1ccc(C)c(N(C(=O)OCOC(=O)C(C)NC(=O)OCc2ccccc2)c2ncnn3cc(C(=O)NCC)c(C)c23)c1.CCNC(=O)c1cn2ncnc(N(C(=O)OCOC(=O)C(C)NC(=O)OCc3ccccc3)c3cc(C(=O)NC4CC4)ccc3C)c2c1C.CCNC(=O)c1cn2ncnc(N(C(=O)OCOC(=O)C(C)NC(=O)OCc3ccccc3)c3cc(C(=O)Nc4ccon4)ccc3C)c2c1C
InChIInChI=1S/C34H34N8O9.C34H37N7O8.C34H39N7O8.C33H37N7O8/c1-5-35-31(44)25-16-41-28(21(25)3)29(36-18-37-41)42(26-15-24(12-11-20(26)2)30(43)39-27-13-14-51-40-27)34(47)50-19-49-32(45)22(4)38-33(46)48-17-23-9-7-6-8-10-23;1-5-35-31(43)26-16-40-28(21(26)3)29(36-18-37-40)41(27-15-24(12-11-20(27)2)30(42)39-25-13-14-25)34(46)49-19-48-32(44)22(4)38-33(45)47-17-23-9-7-6-8-10-23;1-6-15-36-30(42)25-14-13-21(3)27(16-25)41(29-28-22(4)26(31(43)35-7-2)17-40(28)38-19-37-29)34(46)49-20-48-32(44)23(5)39-33(45)47-18-24-11-9-8-10-12-24;1-6-34-29(41)24-14-13-20(3)26(15-24)40(28-27-21(4)25(30(42)35-7-2)16-39(27)37-18-36-28)33(45)48-19-47-31(43)22(5)38-32(44)46-17-23-11-9-8-10-12-23/h6-16,18,22H,5,17,19H2,1-4H3,(H,35,44)(H,38,46)(H,39,40,43);6-12,15-16,18,22,25H,5,13-14,17,19H2,1-4H3,(H,35,43)(H,38,45)(H,39,42);8-14,16-17,19,23H,6-7,15,18,20H2,1-5H3,(H,35,43)(H,36,42)(H,39,45);8-16,18,22H,6-7,17,19H2,1-5H3,(H,34,41)(H,35,42)(H,38,44)
InChIKeyJEJJTWGUOBZVPT-UHFFFAOYSA-N
MW2703.83 g/mol
LogP16.77
Rot. Bonds49
About [[5-(cyclopropylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(propylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate
[[5-(cyclopropylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(propylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate (PubChem CID 158892184) has the molecular formula C135H147N29O33 and a molecular weight of 2703.83 g/mol. Its IUPAC name is [[5-(cyclopropylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(propylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate.
Molecular Properties
| Compound Name | [[5-(cyclopropylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(propylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate |
|---|---|
| PubChem CID | 158892184 |
| Molecular Formula | C135H147N29O33 |
| Molecular Weight | 2703.83 g/mol |
| Exact Mass | 2702.07 |
| IUPAC Name | [[5-(cyclopropylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(propylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate |
| SMILES | CCCNC(=O)c1ccc(C)c(N(C(=O)OCOC(=O)C(C)NC(=O)OCc2ccccc2)c2ncnn3cc(C(=O)NCC)c(C)c23)c1.CCNC(=O)c1ccc(C)c(N(C(=O)OCOC(=O)C(C)NC(=O)OCc2ccccc2)c2ncnn3cc(C(=O)NCC)c(C)c23)c1.CCNC(=O)c1cn2ncnc(N(C(=O)OCOC(=O)C(C)NC(=O)OCc3ccccc3)c3cc(C(=O)NC4CC4)ccc3C)c2c1C.CCNC(=O)c1cn2ncnc(N(C(=O)OCOC(=O)C(C)NC(=O)OCc3ccccc3)c3cc(C(=O)Nc4ccon4)ccc3C)c2c1C |
| InChI | InChI=1S/C34H34N8O9.C34H37N7O8.C34H39N7O8.C33H37N7O8/c1-5-35-31(44)25-16-41-28(21(25)3)29(36-18-37-41)42(26-15-24(12-11-20(26)2)30(43)39-27-13-14-51-40-27)34(47)50-19-49-32(45)22(4)38-33(46)48-17-23-9-7-6-8-10-23;1-5-35-31(43)26-16-40-28(21(26)3)29(36-18-37-40)41(27-15-24(12-11-20(27)2)30(42)39-25-13-14-25)34(46)49-19-48-32(44)22(4)38-33(45)47-17-23-9-7-6-8-10-23;1-6-15-36-30(42)25-14-13-21(3)27(16-25)41(29-28-22(4)26(31(43)35-7-2)17-40(28)38-19-37-29)34(46)49-20-48-32(44)23(5)39-33(45)47-18-24-11-9-8-10-12-24;1-6-34-29(41)24-14-13-20(3)26(15-24)40(28-27-21(4)25(30(42)35-7-2)16-39(27)37-18-36-28)33(45)48-19-47-31(43)22(5)38-32(44)46-17-23-11-9-8-10-12-23/h6-16,18,22H,5,17,19H2,1-4H3,(H,35,44)(H,38,46)(H,39,40,43);6-12,15-16,18,22,25H,5,13-14,17,19H2,1-4H3,(H,35,43)(H,38,45)(H,39,42);8-14,16-17,19,23H,6-7,15,18,20H2,1-5H3,(H,35,43)(H,36,42)(H,39,45);8-16,18,22H,6-7,17,19H2,1-5H3,(H,34,41)(H,35,42)(H,38,44) |
| InChIKey | JEJJTWGUOBZVPT-UHFFFAOYSA-N |
| XLogP | 16.77 |
| TPSA | 756.27 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 46 |
| Rotatable Bonds | 49 |
| Heavy Atoms | 197 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2703.83 |
| LogP ≤ 5 | 16.77 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 46 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of [[5-(cyclopropylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(propylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate?
The IUPAC name of [[5-(cyclopropylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(propylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate (CID 158892184) is [[5-(cyclopropylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(propylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate.
What is the SMILES notation for [[5-(cyclopropylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(propylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate?
The canonical SMILES for [[5-(cyclopropylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(propylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate is CCCNC(=O)c1ccc(C)c(N(C(=O)OCOC(=O)C(C)NC(=O)OCc2ccccc2)c2ncnn3cc(C(=O)NCC)c(C)c23)c1.CCNC(=O)c1ccc(C)c(N(C(=O)OCOC(=O)C(C)NC(=O)OCc2ccccc2)c2ncnn3cc(C(=O)NCC)c(C)c23)c1.CCNC(=O)c1cn2ncnc(N(C(=O)OCOC(=O)C(C)NC(=O)OCc3ccccc3)c3cc(C(=O)NC4CC4)ccc3C)c2c1C.CCNC(=O)c1cn2ncnc(N(C(=O)OCOC(=O)C(C)NC(=O)OCc3ccccc3)c3cc(C(=O)Nc4ccon4)ccc3C)c2c1C.
What is the InChIKey of [[5-(cyclopropylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(propylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate?
The InChIKey is JEJJTWGUOBZVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N8O9.C34H37N7O8.C34H39N7O8.C33H37N7O8/c1-5-35-31(44)25-16-41-28(21(25)3)29(36-18-37-41)42(26-15-24(12-11-20(26)2)30(43)39-27-13-14-51-40-27)34(47)50-19-49-32(45)22(4)38-33(46)48-17-23-9-7-6-8-10-23;1-5-35-31(43)26-16-40-28(21(26)3)29(36-18-37-40)41(27-15-24(12-11-20(27)2)30(42)39-25-13-14-25)34(46)49-19-48-32(44)22(4)38-33(45)47-17-23-9-7-6-8-10-23;1-6-15-36-30(42)25-14-13-21(3)27(16-25)41(29-28-22(4)26(31(43)35-7-2)17-40(28)38-19-37-29)34(46)49-20-48-32(44)23(5)39-33(45)47-18-24-11-9-8-10-12-24;1-6-34-29(41)24-14-13-20(3)26(15-24)40(28-27-21(4)25(30(42)35-7-2)16-39(27)37-18-36-28)33(45)48-19-47-31(43)22(5)38-32(44)46-17-23-11-9-8-10-12-23/h6-16,18,22H,5,17,19H2,1-4H3,(H,35,44)(H,38,46)(H,39,40,43);6-12,15-16,18,22,25H,5,13-14,17,19H2,1-4H3,(H,35,43)(H,38,45)(H,39,42);8-14,16-17,19,23H,6-7,15,18,20H2,1-5H3,(H,35,43)(H,36,42)(H,39,45);8-16,18,22H,6-7,17,19H2,1-5H3,(H,34,41)(H,35,42)(H,38,44).
What are the key properties of [[5-(cyclopropylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(propylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate?
[[5-(cyclopropylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(propylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate has a molecular weight of 2703.83 g/mol, XLogP of 16.77, 49 rotatable bonds, 12 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for [[5-(cyclopropylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[5-(ethylcarbamoyl)-2-methylphenyl]-[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate;[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-[2-methyl-5-(propylcarbamoyl)phenyl]carbamoyl]oxymethyl 2-(phenylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 158892184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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- PubChem CID 158892184 — identifiers, structure, computed properties (public domain)
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