benzyl N-[2-[(2S)-6-[cyclohexyl(propan-2-yl)carbamoyl]-2-[(4-methoxyphenyl)methyl]-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]carbamate;(2S)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxamide;methyl (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-(phenylmethoxycarbonylamino)ethyl]-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxylate;methyl (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-7-(trifluoromethyl)-4H-chromene-6-carboxylate

C118H126F12N8O23 — CID 158251713

IUPACbenzyl N-[2-[(2S)-6-[cyclohexyl(propan-2-yl)carbamoyl]-2-[(4-methoxyphenyl)methyl]-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]carbamate;(2S)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxamide;methyl (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-(phenylmethoxycarbonylamino)ethyl]-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxylate;methyl (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-7-(trifluoromethyl)-4H-chromene-6-carboxylate
SMILESCCC(=O)NCCN1C(=O)[C@H](Cc2ccc(OC)cc2)Oc2cc(C(F)(F)F)c(C(=O)N(C(C)C)C3CCCCC3)cc21.COC(=O)c1cc2c(cc1C(F)(F)F)O[C@@H](Cc1ccc(OC)cc1)C(=O)C2.COC(=O)c1cc2c(cc1C(F)(F)F)O[C@@H](Cc1ccc(OC)cc1)C(=O)N2CCNC(=O)OCc1ccccc1.COc1ccc(C[C@@H]2Oc3cc(C(F)(F)F)c(C(=O)N(C(C)C)C4CCCCC4)cc3N(CCNC(=O)OCc3ccccc3)C2=O)cc1
InChIInChI=1S/C37H42F3N3O6.C32H40F3N3O5.C29H27F3N2O7.C20H17F3O5/c1-24(2)43(27-12-8-5-9-13-27)34(44)29-21-31-32(22-30(29)37(38,39)40)49-33(20-25-14-16-28(47-3)17-15-25)35(45)42(31)19-18-41-36(46)48-23-26-10-6-4-7-11-26;1-5-29(39)36-15-16-37-26-18-24(30(40)38(20(2)3)22-9-7-6-8-10-22)25(32(33,34)35)19-27(26)43-28(31(37)41)17-21-11-13-23(42-4)14-12-21;1-38-20-10-8-18(9-11-20)14-25-26(35)34(13-12-33-28(37)40-17-19-6-4-3-5-7-19)23-15-21(27(36)39-2)22(29(30,31)32)16-24(23)41-25;1-26-13-5-3-11(4-6-13)7-18-16(24)9-12-8-14(19(25)27-2)15(20(21,22)23)10-17(12)28-18/h4,6-7,10-11,14-17,21-22,24,27,33H,5,8-9,12-13,18-20,23H2,1-3H3,(H,41,46);11-14,18-20,22,28H,5-10,15-17H2,1-4H3,(H,36,39);3-11,15-16,25H,12-14,17H2,1-2H3,(H,33,37);3-6,8,10,18H,7,9H2,1-2H3/t33-;28-;25-;18-/m0000/s1
InChIKeyGGUHLSLSTVQYIO-FWQNRJIMSA-N
MW2252.31 g/mol
LogP21.30
Rot. Bonds34

About benzyl N-[2-[(2S)-6-[cyclohexyl(propan-2-yl)carbamoyl]-2-[(4-methoxyphenyl)methyl]-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]carbamate;(2S)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxamide;methyl (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-(phenylmethoxycarbonylamino)ethyl]-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxylate;methyl (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-7-(trifluoromethyl)-4H-chromene-6-carboxylate

benzyl N-[2-[(2S)-6-[cyclohexyl(propan-2-yl)carbamoyl]-2-[(4-methoxyphenyl)methyl]-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]carbamate;(2S)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxamide;methyl (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-(phenylmethoxycarbonylamino)ethyl]-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxylate;methyl (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-7-(trifluoromethyl)-4H-chromene-6-carboxylate (PubChem CID 158251713) has the molecular formula C118H126F12N8O23 and a molecular weight of 2252.31 g/mol. Its IUPAC name is benzyl N-[2-[(2S)-6-[cyclohexyl(propan-2-yl)carbamoyl]-2-[(4-methoxyphenyl)methyl]-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]carbamate;(2S)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxamide;methyl (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-(phenylmethoxycarbonylamino)ethyl]-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxylate;methyl (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-7-(trifluoromethyl)-4H-chromene-6-carboxylate.

Molecular Properties

Compound Namebenzyl N-[2-[(2S)-6-[cyclohexyl(propan-2-yl)carbamoyl]-2-[(4-methoxyphenyl)methyl]-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]carbamate;(2S)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxamide;methyl (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-(phenylmethoxycarbonylamino)ethyl]-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxylate;methyl (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-7-(trifluoromethyl)-4H-chromene-6-carboxylate
PubChem CID158251713
Molecular FormulaC118H126F12N8O23
Molecular Weight2252.31 g/mol
Exact Mass2250.87
IUPAC Namebenzyl N-[2-[(2S)-6-[cyclohexyl(propan-2-yl)carbamoyl]-2-[(4-methoxyphenyl)methyl]-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]carbamate;(2S)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxamide;methyl (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-(phenylmethoxycarbonylamino)ethyl]-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxylate;methyl (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-7-(trifluoromethyl)-4H-chromene-6-carboxylate
SMILESCCC(=O)NCCN1C(=O)[C@H](Cc2ccc(OC)cc2)Oc2cc(C(F)(F)F)c(C(=O)N(C(C)C)C3CCCCC3)cc21.COC(=O)c1cc2c(cc1C(F)(F)F)O[C@@H](Cc1ccc(OC)cc1)C(=O)C2.COC(=O)c1cc2c(cc1C(F)(F)F)O[C@@H](Cc1ccc(OC)cc1)C(=O)N2CCNC(=O)OCc1ccccc1.COc1ccc(C[C@@H]2Oc3cc(C(F)(F)F)c(C(=O)N(C(C)C)C4CCCCC4)cc3N(CCNC(=O)OCc3ccccc3)C2=O)cc1
InChIInChI=1S/C37H42F3N3O6.C32H40F3N3O5.C29H27F3N2O7.C20H17F3O5/c1-24(2)43(27-12-8-5-9-13-27)34(44)29-21-31-32(22-30(29)37(38,39)40)49-33(20-25-14-16-28(47-3)17-15-25)35(45)42(31)19-18-41-36(46)48-23-26-10-6-4-7-11-26;1-5-29(39)36-15-16-37-26-18-24(30(40)38(20(2)3)22-9-7-6-8-10-22)25(32(33,34)35)19-27(26)43-28(31(37)41)17-21-11-13-23(42-4)14-12-21;1-38-20-10-8-18(9-11-20)14-25-26(35)34(13-12-33-28(37)40-17-19-6-4-3-5-7-19)23-15-21(27(36)39-2)22(29(30,31)32)16-24(23)41-25;1-26-13-5-3-11(4-6-13)7-18-16(24)9-12-8-14(19(25)27-2)15(20(21,22)23)10-17(12)28-18/h4,6-7,10-11,14-17,21-22,24,27,33H,5,8-9,12-13,18-20,23H2,1-3H3,(H,41,46);11-14,18-20,22,28H,5-10,15-17H2,1-4H3,(H,36,39);3-11,15-16,25H,12-14,17H2,1-2H3,(H,33,37);3-6,8,10,18H,7,9H2,1-2H3/t33-;28-;25-;18-/m0000/s1
InChIKeyGGUHLSLSTVQYIO-FWQNRJIMSA-N
XLogP21.30
TPSA350.82 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds34
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002252.31
LogP ≤ 521.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze benzyl N-[2-[(2S)-6-[cyclohexyl(propan-2-yl)carbamoyl]-2-[(4-methoxyphenyl)methyl]-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]carbamate;(2S)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxamide;methyl (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-(phenylmethoxycarbonylamino)ethyl]-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxylate;methyl (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-7-(trifluoromethyl)-4H-chromene-6-carboxylate with MolForge

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Related Compounds

tert-butyl 3-[[(2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-(propanoylamino)ethyl]-7-(trifluoromethyl)-1,4-benzoxazine-6-carbonyl]-propan-2-ylamino]piperidine-1-carboxylate
CID 91068493
methyl (2S)-2-methyl-3-oxo-2-phenyl-4-[2-(phenylmethoxycarbonylamino)ethyl]-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxylate;methyl (2S)-2-methyl-3-oxo-2-phenyl-7-(trifluoromethyl)-4H-chromene-6-carboxylate
CID 123860804
methyl 3,3-dimethyl-2-oxo-1-[2-(phenylmethoxycarbonylamino)ethyl]-6-(trifluoromethyl)-4H-quinoline-7-carboxylate
CID 58376164
tert-butyl (3R)-3-[[2-(5-cyano-2-fluorophenyl)-2-methyl-3-oxo-4-[2-(phenylmethoxycarbonylamino)ethyl]-7-(trifluoromethyl)-1,4-benzoxazine-6-carbonyl]-propan-2-ylamino]piperidine-1-carboxylate
CID 67332641
methyl 7-iodo-2,2-dimethyl-3-oxo-4H-chromene-6-carboxylate;methyl 7-iodo-2,2-dimethyl-3-oxo-4-[2-(phenylmethoxycarbonylamino)ethyl]-1,4-benzoxazine-6-carboxylate
CID 123986052
(3R)-3-[[7-methyl-3-oxo-4-[2-(phenylmethoxycarbonylamino)ethyl]spiro[1,4-benzoxazine-2,1'-cyclopropane]-6-carbonyl]-propan-2-ylamino]piperidine-1-carboxylic acid
CID 67332951
(2R)-2-methyl-3-oxo-N-[(3R)-piperidin-3-yl]-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-2,7-bis(trifluoromethyl)-1,4-benzoxazine-6-carboxamide;hydrochloride
CID 87427944
3-[6-[cyclohexyl(propan-2-yl)carbamoyl]-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]propanoic acid
CID 58375867
tert-butyl 3-[[3-oxo-4-[2-(propanoylamino)ethyl]-7-(trifluoromethyl)spiro[1,4-benzoxazine-2,1'-cyclopropane]-6-carbonyl]-propan-2-ylamino]piperidine-1-carboxylate
CID 76770037
N-[(3R)-1-[(2R)-2-amino-3-methylbutanoyl]piperidin-3-yl]-2,2-dimethyl-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxamide;hydrochloride
CID 67511864
[(2S)-1-[(3R)-3-[[2,2-dimethyl-3-oxo-4-[2-(propanoylamino)ethyl]-7-(trifluoromethyl)-1,4-benzoxazine-6-carbonyl]-propan-2-ylamino]piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 68747355
(3R,4R)-3-[[2,2-dimethyl-3-oxo-4-[2-(phenylmethoxycarbonylamino)ethyl]-7-(trifluoromethyl)-1,4-benzoxazine-6-carbonyl]-ethylamino]-4-phenylpiperidine-1-carboxylic acid
CID 67333024

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[(2S)-6-[cyclohexyl(propan-2-yl)carbamoyl]-2-[(4-methoxyphenyl)methyl]-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]carbamate;(2S)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxamide;methyl (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-(phenylmethoxycarbonylamino)ethyl]-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxylate;methyl (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-7-(trifluoromethyl)-4H-chromene-6-carboxylate?
The IUPAC name of benzyl N-[2-[(2S)-6-[cyclohexyl(propan-2-yl)carbamoyl]-2-[(4-methoxyphenyl)methyl]-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]carbamate;(2S)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxamide;methyl (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-(phenylmethoxycarbonylamino)ethyl]-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxylate;methyl (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-7-(trifluoromethyl)-4H-chromene-6-carboxylate (CID 158251713) is benzyl N-[2-[(2S)-6-[cyclohexyl(propan-2-yl)carbamoyl]-2-[(4-methoxyphenyl)methyl]-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]carbamate;(2S)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxamide;methyl (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-(phenylmethoxycarbonylamino)ethyl]-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxylate;methyl (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-7-(trifluoromethyl)-4H-chromene-6-carboxylate.
What is the SMILES notation for benzyl N-[2-[(2S)-6-[cyclohexyl(propan-2-yl)carbamoyl]-2-[(4-methoxyphenyl)methyl]-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]carbamate;(2S)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxamide;methyl (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-(phenylmethoxycarbonylamino)ethyl]-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxylate;methyl (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-7-(trifluoromethyl)-4H-chromene-6-carboxylate?
The canonical SMILES for benzyl N-[2-[(2S)-6-[cyclohexyl(propan-2-yl)carbamoyl]-2-[(4-methoxyphenyl)methyl]-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]carbamate;(2S)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxamide;methyl (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-(phenylmethoxycarbonylamino)ethyl]-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxylate;methyl (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-7-(trifluoromethyl)-4H-chromene-6-carboxylate is CCC(=O)NCCN1C(=O)[C@H](Cc2ccc(OC)cc2)Oc2cc(C(F)(F)F)c(C(=O)N(C(C)C)C3CCCCC3)cc21.COC(=O)c1cc2c(cc1C(F)(F)F)O[C@@H](Cc1ccc(OC)cc1)C(=O)C2.COC(=O)c1cc2c(cc1C(F)(F)F)O[C@@H](Cc1ccc(OC)cc1)C(=O)N2CCNC(=O)OCc1ccccc1.COc1ccc(C[C@@H]2Oc3cc(C(F)(F)F)c(C(=O)N(C(C)C)C4CCCCC4)cc3N(CCNC(=O)OCc3ccccc3)C2=O)cc1.
What is the InChIKey of benzyl N-[2-[(2S)-6-[cyclohexyl(propan-2-yl)carbamoyl]-2-[(4-methoxyphenyl)methyl]-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]carbamate;(2S)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxamide;methyl (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-(phenylmethoxycarbonylamino)ethyl]-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxylate;methyl (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-7-(trifluoromethyl)-4H-chromene-6-carboxylate?
The InChIKey is GGUHLSLSTVQYIO-FWQNRJIMSA-N. The full InChI is InChI=1S/C37H42F3N3O6.C32H40F3N3O5.C29H27F3N2O7.C20H17F3O5/c1-24(2)43(27-12-8-5-9-13-27)34(44)29-21-31-32(22-30(29)37(38,39)40)49-33(20-25-14-16-28(47-3)17-15-25)35(45)42(31)19-18-41-36(46)48-23-26-10-6-4-7-11-26;1-5-29(39)36-15-16-37-26-18-24(30(40)38(20(2)3)22-9-7-6-8-10-22)25(32(33,34)35)19-27(26)43-28(31(37)41)17-21-11-13-23(42-4)14-12-21;1-38-20-10-8-18(9-11-20)14-25-26(35)34(13-12-33-28(37)40-17-19-6-4-3-5-7-19)23-15-21(27(36)39-2)22(29(30,31)32)16-24(23)41-25;1-26-13-5-3-11(4-6-13)7-18-16(24)9-12-8-14(19(25)27-2)15(20(21,22)23)10-17(12)28-18/h4,6-7,10-11,14-17,21-22,24,27,33H,5,8-9,12-13,18-20,23H2,1-3H3,(H,41,46);11-14,18-20,22,28H,5-10,15-17H2,1-4H3,(H,36,39);3-11,15-16,25H,12-14,17H2,1-2H3,(H,33,37);3-6,8,10,18H,7,9H2,1-2H3/t33-;28-;25-;18-/m0000/s1.
What are the key properties of benzyl N-[2-[(2S)-6-[cyclohexyl(propan-2-yl)carbamoyl]-2-[(4-methoxyphenyl)methyl]-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]carbamate;(2S)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxamide;methyl (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-(phenylmethoxycarbonylamino)ethyl]-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxylate;methyl (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-7-(trifluoromethyl)-4H-chromene-6-carboxylate?
benzyl N-[2-[(2S)-6-[cyclohexyl(propan-2-yl)carbamoyl]-2-[(4-methoxyphenyl)methyl]-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]carbamate;(2S)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxamide;methyl (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-(phenylmethoxycarbonylamino)ethyl]-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxylate;methyl (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-7-(trifluoromethyl)-4H-chromene-6-carboxylate has a molecular weight of 2252.31 g/mol, XLogP of 21.30, 34 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[(2S)-6-[cyclohexyl(propan-2-yl)carbamoyl]-2-[(4-methoxyphenyl)methyl]-3-oxo-7-(trifluoromethyl)-1,4-benzoxazin-4-yl]ethyl]carbamate;(2S)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxamide;methyl (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-(phenylmethoxycarbonylamino)ethyl]-7-(trifluoromethyl)-1,4-benzoxazine-6-carboxylate;methyl (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-7-(trifluoromethyl)-4H-chromene-6-carboxylate is sourced from PubChem (CID 158251713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).