2-[(6E)-6-acetyloxyimino-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-12-yl]ethyl 2-methylprop-2-enoate;2-[(6E)-6-acetyloxyimino-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-12-yl]ethyl prop-2-enoate;[(E)-[12-(cyclohexylmethyl)-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate;[(E)-[12-(2-methoxyethyl)-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate

C125H112N8O25 — CID 172931531

IUPAC2-[(6E)-6-acetyloxyimino-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-12-yl]ethyl 2-methylprop-2-enoate;2-[(6E)-6-acetyloxyimino-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-12-yl]ethyl prop-2-enoate;[(E)-[12-(cyclohexylmethyl)-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate;[(E)-[12-(2-methoxyethyl)-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate
SMILESC=C(C)C(=O)OCCn1c2ccc(C(=O)c3ccccc3C)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)CCO3.C=CC(=O)OCCn1c2ccc(C(=O)c3ccccc3C)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)CCO3.CC(=O)O/N=C1\CCOc2c(ccc3c2c2cc(C(=O)c4ccccc4C)ccc2n3CC2CCCCC2)C1=O.COCCn1c2ccc(C(=O)c3ccccc3C)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)CCO3
InChIInChI=1S/C33H32N2O5.C32H28N2O7.C31H26N2O7.C29H26N2O6/c1-20-8-6-7-11-24(20)31(37)23-12-14-28-26(18-23)30-29(35(28)19-22-9-4-3-5-10-22)15-13-25-32(38)27(34-40-21(2)36)16-17-39-33(25)30;1-18(2)32(38)40-16-14-34-26-11-9-21(29(36)22-8-6-5-7-19(22)3)17-24(26)28-27(34)12-10-23-30(37)25(33-41-20(4)35)13-15-39-31(23)28;1-4-27(35)38-16-14-33-25-11-9-20(29(36)21-8-6-5-7-18(21)2)17-23(25)28-26(33)12-10-22-30(37)24(32-40-19(3)34)13-15-39-31(22)28;1-17-6-4-5-7-20(17)27(33)19-8-10-24-22(16-19)26-25(31(24)13-15-35-3)11-9-21-28(34)23(30-37-18(2)32)12-14-36-29(21)26/h6-8,11-15,18,22H,3-5,9-10,16-17,19H2,1-2H3;5-12,17H,1,13-16H2,2-4H3;4-12,17H,1,13-16H2,2-3H3;4-11,16H,12-15H2,1-3H3/b34-27+;33-25+;32-24+;30-23+
InChIKeyRNFCJFDMLZSULY-GSCRCYRASA-N
MW2126.30 g/mol
LogP21.95
Rot. Bonds25

About 2-[(6E)-6-acetyloxyimino-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-12-yl]ethyl 2-methylprop-2-enoate;2-[(6E)-6-acetyloxyimino-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-12-yl]ethyl prop-2-enoate;[(E)-[12-(cyclohexylmethyl)-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate;[(E)-[12-(2-methoxyethyl)-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate

2-[(6E)-6-acetyloxyimino-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-12-yl]ethyl 2-methylprop-2-enoate;2-[(6E)-6-acetyloxyimino-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-12-yl]ethyl prop-2-enoate;[(E)-[12-(cyclohexylmethyl)-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate;[(E)-[12-(2-methoxyethyl)-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate (PubChem CID 172931531) has the molecular formula C125H112N8O25 and a molecular weight of 2126.30 g/mol. Its IUPAC name is 2-[(6E)-6-acetyloxyimino-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-12-yl]ethyl 2-methylprop-2-enoate;2-[(6E)-6-acetyloxyimino-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-12-yl]ethyl prop-2-enoate;[(E)-[12-(cyclohexylmethyl)-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate;[(E)-[12-(2-methoxyethyl)-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate.

Molecular Properties

Compound Name2-[(6E)-6-acetyloxyimino-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-12-yl]ethyl 2-methylprop-2-enoate;2-[(6E)-6-acetyloxyimino-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-12-yl]ethyl prop-2-enoate;[(E)-[12-(cyclohexylmethyl)-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate;[(E)-[12-(2-methoxyethyl)-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate
PubChem CID172931531
Molecular FormulaC125H112N8O25
Molecular Weight2126.30 g/mol
Exact Mass2124.77
IUPAC Name2-[(6E)-6-acetyloxyimino-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-12-yl]ethyl 2-methylprop-2-enoate;2-[(6E)-6-acetyloxyimino-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-12-yl]ethyl prop-2-enoate;[(E)-[12-(cyclohexylmethyl)-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate;[(E)-[12-(2-methoxyethyl)-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate
SMILESC=C(C)C(=O)OCCn1c2ccc(C(=O)c3ccccc3C)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)CCO3.C=CC(=O)OCCn1c2ccc(C(=O)c3ccccc3C)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)CCO3.CC(=O)O/N=C1\CCOc2c(ccc3c2c2cc(C(=O)c4ccccc4C)ccc2n3CC2CCCCC2)C1=O.COCCn1c2ccc(C(=O)c3ccccc3C)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)CCO3
InChIInChI=1S/C33H32N2O5.C32H28N2O7.C31H26N2O7.C29H26N2O6/c1-20-8-6-7-11-24(20)31(37)23-12-14-28-26(18-23)30-29(35(28)19-22-9-4-3-5-10-22)15-13-25-32(38)27(34-40-21(2)36)16-17-39-33(25)30;1-18(2)32(38)40-16-14-34-26-11-9-21(29(36)22-8-6-5-7-19(22)3)17-24(26)28-27(34)12-10-23-30(37)25(33-41-20(4)35)13-15-39-31(23)28;1-4-27(35)38-16-14-33-25-11-9-20(29(36)21-8-6-5-7-18(21)2)17-23(25)28-26(33)12-10-22-30(37)24(32-40-19(3)34)13-15-39-31(22)28;1-17-6-4-5-7-20(17)27(33)19-8-10-24-22(16-19)26-25(31(24)13-15-35-3)11-9-21-28(34)23(30-37-18(2)32)12-14-36-29(21)26/h6-8,11-15,18,22H,3-5,9-10,16-17,19H2,1-2H3;5-12,17H,1,13-16H2,2-4H3;4-12,17H,1,13-16H2,2-3H3;4-11,16H,12-15H2,1-3H3/b34-27+;33-25+;32-24+;30-23+
InChIKeyRNFCJFDMLZSULY-GSCRCYRASA-N
XLogP21.95
TPSA409.67 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds25
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002126.30
LogP ≤ 521.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(6E)-6-acetyloxyimino-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-12-yl]ethyl 2-methylprop-2-enoate;2-[(6E)-6-acetyloxyimino-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-12-yl]ethyl prop-2-enoate;[(E)-[12-(cyclohexylmethyl)-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate;[(E)-[12-(2-methoxyethyl)-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(6E)-6-acetyloxyimino-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-12-yl]ethyl 2-methylprop-2-enoate;2-[(6E)-6-acetyloxyimino-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-12-yl]ethyl prop-2-enoate;[(E)-[12-(cyclohexylmethyl)-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate;[(E)-[12-(2-methoxyethyl)-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate?
The IUPAC name of 2-[(6E)-6-acetyloxyimino-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-12-yl]ethyl 2-methylprop-2-enoate;2-[(6E)-6-acetyloxyimino-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-12-yl]ethyl prop-2-enoate;[(E)-[12-(cyclohexylmethyl)-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate;[(E)-[12-(2-methoxyethyl)-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate (CID 172931531) is 2-[(6E)-6-acetyloxyimino-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-12-yl]ethyl 2-methylprop-2-enoate;2-[(6E)-6-acetyloxyimino-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-12-yl]ethyl prop-2-enoate;[(E)-[12-(cyclohexylmethyl)-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate;[(E)-[12-(2-methoxyethyl)-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate.
What is the SMILES notation for 2-[(6E)-6-acetyloxyimino-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-12-yl]ethyl 2-methylprop-2-enoate;2-[(6E)-6-acetyloxyimino-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-12-yl]ethyl prop-2-enoate;[(E)-[12-(cyclohexylmethyl)-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate;[(E)-[12-(2-methoxyethyl)-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate?
The canonical SMILES for 2-[(6E)-6-acetyloxyimino-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-12-yl]ethyl 2-methylprop-2-enoate;2-[(6E)-6-acetyloxyimino-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-12-yl]ethyl prop-2-enoate;[(E)-[12-(cyclohexylmethyl)-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate;[(E)-[12-(2-methoxyethyl)-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate is C=C(C)C(=O)OCCn1c2ccc(C(=O)c3ccccc3C)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)CCO3.C=CC(=O)OCCn1c2ccc(C(=O)c3ccccc3C)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)CCO3.CC(=O)O/N=C1\CCOc2c(ccc3c2c2cc(C(=O)c4ccccc4C)ccc2n3CC2CCCCC2)C1=O.COCCn1c2ccc(C(=O)c3ccccc3C)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)CCO3.
What is the InChIKey of 2-[(6E)-6-acetyloxyimino-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-12-yl]ethyl 2-methylprop-2-enoate;2-[(6E)-6-acetyloxyimino-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-12-yl]ethyl prop-2-enoate;[(E)-[12-(cyclohexylmethyl)-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate;[(E)-[12-(2-methoxyethyl)-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate?
The InChIKey is RNFCJFDMLZSULY-GSCRCYRASA-N. The full InChI is InChI=1S/C33H32N2O5.C32H28N2O7.C31H26N2O7.C29H26N2O6/c1-20-8-6-7-11-24(20)31(37)23-12-14-28-26(18-23)30-29(35(28)19-22-9-4-3-5-10-22)15-13-25-32(38)27(34-40-21(2)36)16-17-39-33(25)30;1-18(2)32(38)40-16-14-34-26-11-9-21(29(36)22-8-6-5-7-19(22)3)17-24(26)28-27(34)12-10-23-30(37)25(33-41-20(4)35)13-15-39-31(23)28;1-4-27(35)38-16-14-33-25-11-9-20(29(36)21-8-6-5-7-18(21)2)17-23(25)28-26(33)12-10-22-30(37)24(32-40-19(3)34)13-15-39-31(22)28;1-17-6-4-5-7-20(17)27(33)19-8-10-24-22(16-19)26-25(31(24)13-15-35-3)11-9-21-28(34)23(30-37-18(2)32)12-14-36-29(21)26/h6-8,11-15,18,22H,3-5,9-10,16-17,19H2,1-2H3;5-12,17H,1,13-16H2,2-4H3;4-12,17H,1,13-16H2,2-3H3;4-11,16H,12-15H2,1-3H3/b34-27+;33-25+;32-24+;30-23+.
What are the key properties of 2-[(6E)-6-acetyloxyimino-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-12-yl]ethyl 2-methylprop-2-enoate;2-[(6E)-6-acetyloxyimino-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-12-yl]ethyl prop-2-enoate;[(E)-[12-(cyclohexylmethyl)-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate;[(E)-[12-(2-methoxyethyl)-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate?
2-[(6E)-6-acetyloxyimino-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-12-yl]ethyl 2-methylprop-2-enoate;2-[(6E)-6-acetyloxyimino-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-12-yl]ethyl prop-2-enoate;[(E)-[12-(cyclohexylmethyl)-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate;[(E)-[12-(2-methoxyethyl)-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate has a molecular weight of 2126.30 g/mol, XLogP of 21.95, 25 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6E)-6-acetyloxyimino-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-12-yl]ethyl 2-methylprop-2-enoate;2-[(6E)-6-acetyloxyimino-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-12-yl]ethyl prop-2-enoate;[(E)-[12-(cyclohexylmethyl)-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate;[(E)-[12-(2-methoxyethyl)-16-(2-methylbenzoyl)-7-oxo-3-oxa-12-azatetracyclo[9.7.0.02,8.013,18]octadeca-1(11),2(8),9,13(18),14,16-hexaen-6-ylidene]amino] acetate is sourced from PubChem (CID 172931531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).