methyl N-[[14-[2-(diethylamino)ethyl]-4-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methyl]carbamate

C23H28N4O3S — CID 10478426

IUPACmethyl N-[[14-[2-(diethylamino)ethyl]-4-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methyl]carbamate
SMILESCCN(CC)CCn1nc2c3c(c(CNC(=O)OC)ccc31)Sc1ccc(OC)cc1-2
InChIInChI=1S/C23H28N4O3S/c1-5-26(6-2)11-12-27-18-9-7-15(14-24-23(28)30-4)22-20(18)21(25-27)17-13-16(29-3)8-10-19(17)31-22/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,24,28)
InChIKeyYHQNTZISXXZJOQ-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.37
Rot. Bonds8

About methyl N-[[14-[2-(diethylamino)ethyl]-4-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methyl]carbamate

methyl N-[[14-[2-(diethylamino)ethyl]-4-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methyl]carbamate (PubChem CID 10478426) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is methyl N-[[14-[2-(diethylamino)ethyl]-4-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[14-[2-(diethylamino)ethyl]-4-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methyl]carbamate
PubChem CID10478426
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Namemethyl N-[[14-[2-(diethylamino)ethyl]-4-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methyl]carbamate
SMILESCCN(CC)CCn1nc2c3c(c(CNC(=O)OC)ccc31)Sc1ccc(OC)cc1-2
InChIInChI=1S/C23H28N4O3S/c1-5-26(6-2)11-12-27-18-9-7-15(14-24-23(28)30-4)22-20(18)21(25-27)17-13-16(29-3)8-10-19(17)31-22/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,24,28)
InChIKeyYHQNTZISXXZJOQ-UHFFFAOYSA-N
XLogP4.37
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl N-[[14-[2-(diethylamino)ethyl]-4-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[[14-[2-(diethylamino)ethyl]-4-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methyl]carbamate?
The IUPAC name of methyl N-[[14-[2-(diethylamino)ethyl]-4-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methyl]carbamate (CID 10478426) is methyl N-[[14-[2-(diethylamino)ethyl]-4-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methyl]carbamate.
What is the SMILES notation for methyl N-[[14-[2-(diethylamino)ethyl]-4-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methyl]carbamate?
The canonical SMILES for methyl N-[[14-[2-(diethylamino)ethyl]-4-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methyl]carbamate is CCN(CC)CCn1nc2c3c(c(CNC(=O)OC)ccc31)Sc1ccc(OC)cc1-2.
What is the InChIKey of methyl N-[[14-[2-(diethylamino)ethyl]-4-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methyl]carbamate?
The InChIKey is YHQNTZISXXZJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-5-26(6-2)11-12-27-18-9-7-15(14-24-23(28)30-4)22-20(18)21(25-27)17-13-16(29-3)8-10-19(17)31-22/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,24,28).
What are the key properties of methyl N-[[14-[2-(diethylamino)ethyl]-4-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methyl]carbamate?
methyl N-[[14-[2-(diethylamino)ethyl]-4-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methyl]carbamate has a molecular weight of 440.57 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[14-[2-(diethylamino)ethyl]-4-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methyl]carbamate is sourced from PubChem (CID 10478426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).