4-bromobenzoic acid;4-bromo-N,N-bis(trideuteriomethyl)benzamide;tert-butyl 4-[4-[bis(trideuteriomethyl)carbamoyl]phenyl]-1,4-diazepane-1-carboxylate;tert-butyl formate;4-[4-(2-chloro-3-cyano-4-pyridinyl)-1,4-diazepan-1-yl]-N,N-bis(trideuteriomethyl)benzamide;1,4-diazepane;4-(1,4-diazepan-1-yl)-N,N-bis(trideuteriomethyl)benzamide;2,4-dichloropyridine-3-carbonitrile;ethane;methyl 3-amino-4-[4-[4-[bis(trideuteriomethyl)carbamoyl]phenyl]-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxylate;methyl 2-sulfanylacetate;1,1,1-trideuterio-N-methylmethanamine

C115H157Br2Cl3N22O15S2 — CID 164984759

IUPAC4-bromobenzoic acid;4-bromo-N,N-bis(trideuteriomethyl)benzamide;tert-butyl 4-[4-[bis(trideuteriomethyl)carbamoyl]phenyl]-1,4-diazepane-1-carboxylate;tert-butyl formate;4-[4-(2-chloro-3-cyano-4-pyridinyl)-1,4-diazepan-1-yl]-N,N-bis(trideuteriomethyl)benzamide;1,4-diazepane;4-(1,4-diazepan-1-yl)-N,N-bis(trideuteriomethyl)benzamide;2,4-dichloropyridine-3-carbonitrile;ethane;methyl 3-amino-4-[4-[4-[bis(trideuteriomethyl)carbamoyl]phenyl]-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxylate;methyl 2-sulfanylacetate;1,1,1-trideuterio-N-methylmethanamine
SMILESC1CNCCNC1.CC.CC(C)(C)OC=O.COC(=O)CS.N#Cc1c(Cl)ccnc1Cl.O=C(O)c1ccc(Br)cc1.[2H]C([2H])([2H])N(C(=O)c1ccc(Br)cc1)C([2H])([2H])[2H].[2H]C([2H])([2H])N(C(=O)c1ccc(N2CCCN(C(=O)OC(C)(C)C)CC2)cc1)C([2H])([2H])[2H].[2H]C([2H])([2H])N(C(=O)c1ccc(N2CCCN(c3ccnc(Cl)c3C#N)CC2)cc1)C([2H])([2H])[2H].[2H]C([2H])([2H])N(C(=O)c1ccc(N2CCCN(c3ccnc4sc(C(=O)OC)c(N)c34)CC2)cc1)C([2H])([2H])[2H].[2H]C([2H])([2H])N(C(=O)c1ccc(N2CCCNCC2)cc1)C([2H])([2H])[2H].[2H]C([2H])([2H])NC
InChIInChI=1S/C23H27N5O3S.C20H22ClN5O.C19H29N3O3.C14H21N3O.C9H10BrNO.C7H5BrO2.C6H2Cl2N2.C5H12N2.C5H10O2.C3H6O2S.C2H7N.C2H6/c1-26(2)22(29)15-5-7-16(8-6-15)27-11-4-12-28(14-13-27)17-9-10-25-21-18(17)19(24)20(32-21)23(30)31-3;1-24(2)20(27)15-4-6-16(7-5-15)25-10-3-11-26(13-12-25)18-8-9-23-19(21)17(18)14-22;1-19(2,3)25-18(24)22-12-6-11-21(13-14-22)16-9-7-15(8-10-16)17(23)20(4)5;1-16(2)14(18)12-4-6-13(7-5-12)17-10-3-8-15-9-11-17;1-11(2)9(12)7-3-5-8(10)6-4-7;8-6-3-1-5(2-4-6)7(9)10;7-5-1-2-10-6(8)4(5)3-9;1-2-6-4-5-7-3-1;1-5(2,3)7-4-6;1-5-3(4)2-6;1-3-2;1-2/h5-10H,4,11-14,24H2,1-3H3;4-9H,3,10-13H2,1-2H3;7-10H,6,11-14H2,1-5H3;4-7,15H,3,8-11H2,1-2H3;3-6H,1-2H3;1-4H,(H,9,10);1-2H;6-7H,1-5H2;4H,1-3H3;6H,2H2,1H3;3H,1-2H3;1-2H3/i2*1D3,2D3;4D3,5D3;2*1D3,2D3;;;;;;1D3;
InChIKeyFZPPJAQTWHRUJF-AIPASVFWSA-N
MW2451.16 g/mol
LogP18.17
Rot. Bonds26

About 4-bromobenzoic acid;4-bromo-N,N-bis(trideuteriomethyl)benzamide;tert-butyl 4-[4-[bis(trideuteriomethyl)carbamoyl]phenyl]-1,4-diazepane-1-carboxylate;tert-butyl formate;4-[4-(2-chloro-3-cyano-4-pyridinyl)-1,4-diazepan-1-yl]-N,N-bis(trideuteriomethyl)benzamide;1,4-diazepane;4-(1,4-diazepan-1-yl)-N,N-bis(trideuteriomethyl)benzamide;2,4-dichloropyridine-3-carbonitrile;ethane;methyl 3-amino-4-[4-[4-[bis(trideuteriomethyl)carbamoyl]phenyl]-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxylate;methyl 2-sulfanylacetate;1,1,1-trideuterio-N-methylmethanamine

4-bromobenzoic acid;4-bromo-N,N-bis(trideuteriomethyl)benzamide;tert-butyl 4-[4-[bis(trideuteriomethyl)carbamoyl]phenyl]-1,4-diazepane-1-carboxylate;tert-butyl formate;4-[4-(2-chloro-3-cyano-4-pyridinyl)-1,4-diazepan-1-yl]-N,N-bis(trideuteriomethyl)benzamide;1,4-diazepane;4-(1,4-diazepan-1-yl)-N,N-bis(trideuteriomethyl)benzamide;2,4-dichloropyridine-3-carbonitrile;ethane;methyl 3-amino-4-[4-[4-[bis(trideuteriomethyl)carbamoyl]phenyl]-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxylate;methyl 2-sulfanylacetate;1,1,1-trideuterio-N-methylmethanamine (PubChem CID 164984759) has the molecular formula C115H157Br2Cl3N22O15S2 and a molecular weight of 2451.16 g/mol. Its IUPAC name is 4-bromobenzoic acid;4-bromo-N,N-bis(trideuteriomethyl)benzamide;tert-butyl 4-[4-[bis(trideuteriomethyl)carbamoyl]phenyl]-1,4-diazepane-1-carboxylate;tert-butyl formate;4-[4-(2-chloro-3-cyano-4-pyridinyl)-1,4-diazepan-1-yl]-N,N-bis(trideuteriomethyl)benzamide;1,4-diazepane;4-(1,4-diazepan-1-yl)-N,N-bis(trideuteriomethyl)benzamide;2,4-dichloropyridine-3-carbonitrile;ethane;methyl 3-amino-4-[4-[4-[bis(trideuteriomethyl)carbamoyl]phenyl]-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxylate;methyl 2-sulfanylacetate;1,1,1-trideuterio-N-methylmethanamine.

Molecular Properties

Compound Name4-bromobenzoic acid;4-bromo-N,N-bis(trideuteriomethyl)benzamide;tert-butyl 4-[4-[bis(trideuteriomethyl)carbamoyl]phenyl]-1,4-diazepane-1-carboxylate;tert-butyl formate;4-[4-(2-chloro-3-cyano-4-pyridinyl)-1,4-diazepan-1-yl]-N,N-bis(trideuteriomethyl)benzamide;1,4-diazepane;4-(1,4-diazepan-1-yl)-N,N-bis(trideuteriomethyl)benzamide;2,4-dichloropyridine-3-carbonitrile;ethane;methyl 3-amino-4-[4-[4-[bis(trideuteriomethyl)carbamoyl]phenyl]-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxylate;methyl 2-sulfanylacetate;1,1,1-trideuterio-N-methylmethanamine
PubChem CID164984759
Molecular FormulaC115H157Br2Cl3N22O15S2
Molecular Weight2451.16 g/mol
Exact Mass2446.11
IUPAC Name4-bromobenzoic acid;4-bromo-N,N-bis(trideuteriomethyl)benzamide;tert-butyl 4-[4-[bis(trideuteriomethyl)carbamoyl]phenyl]-1,4-diazepane-1-carboxylate;tert-butyl formate;4-[4-(2-chloro-3-cyano-4-pyridinyl)-1,4-diazepan-1-yl]-N,N-bis(trideuteriomethyl)benzamide;1,4-diazepane;4-(1,4-diazepan-1-yl)-N,N-bis(trideuteriomethyl)benzamide;2,4-dichloropyridine-3-carbonitrile;ethane;methyl 3-amino-4-[4-[4-[bis(trideuteriomethyl)carbamoyl]phenyl]-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxylate;methyl 2-sulfanylacetate;1,1,1-trideuterio-N-methylmethanamine
SMILESC1CNCCNC1.CC.CC(C)(C)OC=O.COC(=O)CS.N#Cc1c(Cl)ccnc1Cl.O=C(O)c1ccc(Br)cc1.[2H]C([2H])([2H])N(C(=O)c1ccc(Br)cc1)C([2H])([2H])[2H].[2H]C([2H])([2H])N(C(=O)c1ccc(N2CCCN(C(=O)OC(C)(C)C)CC2)cc1)C([2H])([2H])[2H].[2H]C([2H])([2H])N(C(=O)c1ccc(N2CCCN(c3ccnc(Cl)c3C#N)CC2)cc1)C([2H])([2H])[2H].[2H]C([2H])([2H])N(C(=O)c1ccc(N2CCCN(c3ccnc4sc(C(=O)OC)c(N)c34)CC2)cc1)C([2H])([2H])[2H].[2H]C([2H])([2H])N(C(=O)c1ccc(N2CCCNCC2)cc1)C([2H])([2H])[2H].[2H]C([2H])([2H])NC
InChIInChI=1S/C23H27N5O3S.C20H22ClN5O.C19H29N3O3.C14H21N3O.C9H10BrNO.C7H5BrO2.C6H2Cl2N2.C5H12N2.C5H10O2.C3H6O2S.C2H7N.C2H6/c1-26(2)22(29)15-5-7-16(8-6-15)27-11-4-12-28(14-13-27)17-9-10-25-21-18(17)19(24)20(32-21)23(30)31-3;1-24(2)20(27)15-4-6-16(7-5-15)25-10-3-11-26(13-12-25)18-8-9-23-19(21)17(18)14-22;1-19(2,3)25-18(24)22-12-6-11-21(13-14-22)16-9-7-15(8-10-16)17(23)20(4)5;1-16(2)14(18)12-4-6-13(7-5-12)17-10-3-8-15-9-11-17;1-11(2)9(12)7-3-5-8(10)6-4-7;8-6-3-1-5(2-4-6)7(9)10;7-5-1-2-10-6(8)4(5)3-9;1-2-6-4-5-7-3-1;1-5(2,3)7-4-6;1-5-3(4)2-6;1-3-2;1-2/h5-10H,4,11-14,24H2,1-3H3;4-9H,3,10-13H2,1-2H3;7-10H,6,11-14H2,1-5H3;4-7,15H,3,8-11H2,1-2H3;3-6H,1-2H3;1-4H,(H,9,10);1-2H;6-7H,1-5H2;4H,1-3H3;6H,2H2,1H3;3H,1-2H3;1-2H3/i2*1D3,2D3;4D3,5D3;2*1D3,2D3;;;;;;1D3;
InChIKeyFZPPJAQTWHRUJF-AIPASVFWSA-N
XLogP18.17
TPSA427.12 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds26
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002451.16
LogP ≤ 518.17
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 4-bromobenzoic acid;4-bromo-N,N-bis(trideuteriomethyl)benzamide;tert-butyl 4-[4-[bis(trideuteriomethyl)carbamoyl]phenyl]-1,4-diazepane-1-carboxylate;tert-butyl formate;4-[4-(2-chloro-3-cyano-4-pyridinyl)-1,4-diazepan-1-yl]-N,N-bis(trideuteriomethyl)benzamide;1,4-diazepane;4-(1,4-diazepan-1-yl)-N,N-bis(trideuteriomethyl)benzamide;2,4-dichloropyridine-3-carbonitrile;ethane;methyl 3-amino-4-[4-[4-[bis(trideuteriomethyl)carbamoyl]phenyl]-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxylate;methyl 2-sulfanylacetate;1,1,1-trideuterio-N-methylmethanamine with MolForge

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Related Compounds

4-bromo-N,N-dimethylbenzamide;tert-butyl 1,4-diazepane-1-carboxylate;tert-butyl 4-[4-(dimethylcarbamoyl)phenyl]-1,4-diazepane-1-carboxylate;4-[4-(2-chloro-3-cyano-4-pyridinyl)-1,4-diazepan-1-yl]-N,N-dimethylbenzamide;4-(1,4-diazepan-1-yl)-N,N-dimethylbenzamide;2,4-dichloropyridine-3-carbonitrile;ethane;methyl 3-amino-4-[4-[4-(dimethylcarbamoyl)phenyl]-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxylate;methyl 2-sulfanylacetate
CID 164992840
tert-butyl 4-[4-[bis(trideuteriomethyl)carbamoyl]phenyl]-1,4-diazepane-1-carboxylate
CID 164755775
4-bromo-1-chloro-2-methoxybenzene;tert-butyl 4-(4-chloro-3-methoxyphenyl)-1,4-diazepane-1-carboxylate;tert-butyl 1,4-diazepane-1-carboxylate;methane
CID 157326676
3-amino-4-[4-[4-(dimethylcarbamoyl)phenyl]-1,4-diazepan-1-yl]-6-methylthieno[2,3-b]pyridine-2-carboxylic acid
CID 175592708
tert-butyl 4-(4-bromophenyl)piperazine-1-carboxylate;ethane
CID 156798550
tert-butyl 4-(2-chloro-4-pyridinyl)-1,4-diazepane-1-carboxylate
CID 103694307
tert-butyl 4-(2-methoxyphenyl)-1,4-diazepane-1-carboxylate;1-(2-methoxyphenyl)-1,4-diazepane
CID 161383472
N-(4-bromophenyl)-4-piperazin-1-ylbenzamide;tert-butyl formate
CID 160949316
tert-butyl 4-(4-bromophenyl)piperazine-1-carboxylate;tert-butyl 4-[4-(furan-2-yl)phenyl]piperazine-1-carboxylate;1-[4-(furan-2-yl)phenyl]piperazine
CID 158094171
4-bromo-1-chloro-2-methoxybenzene;tert-butyl 4-(4-chloro-3-methoxyphenyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-(4-chloro-3-methoxyphenyl)piperazine;methane
CID 157064417
tert-butyl 4-(3-formyl-4-methoxycarbonylphenyl)-1,4-diazepane-1-carboxylate
CID 171508754
methyl 3-amino-4-cyano-5-(1,4-diazepan-1-yl)thiophene-2-carboxylate
CID 103524882

Frequently Asked Questions

What is the IUPAC name of 4-bromobenzoic acid;4-bromo-N,N-bis(trideuteriomethyl)benzamide;tert-butyl 4-[4-[bis(trideuteriomethyl)carbamoyl]phenyl]-1,4-diazepane-1-carboxylate;tert-butyl formate;4-[4-(2-chloro-3-cyano-4-pyridinyl)-1,4-diazepan-1-yl]-N,N-bis(trideuteriomethyl)benzamide;1,4-diazepane;4-(1,4-diazepan-1-yl)-N,N-bis(trideuteriomethyl)benzamide;2,4-dichloropyridine-3-carbonitrile;ethane;methyl 3-amino-4-[4-[4-[bis(trideuteriomethyl)carbamoyl]phenyl]-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxylate;methyl 2-sulfanylacetate;1,1,1-trideuterio-N-methylmethanamine?
The IUPAC name of 4-bromobenzoic acid;4-bromo-N,N-bis(trideuteriomethyl)benzamide;tert-butyl 4-[4-[bis(trideuteriomethyl)carbamoyl]phenyl]-1,4-diazepane-1-carboxylate;tert-butyl formate;4-[4-(2-chloro-3-cyano-4-pyridinyl)-1,4-diazepan-1-yl]-N,N-bis(trideuteriomethyl)benzamide;1,4-diazepane;4-(1,4-diazepan-1-yl)-N,N-bis(trideuteriomethyl)benzamide;2,4-dichloropyridine-3-carbonitrile;ethane;methyl 3-amino-4-[4-[4-[bis(trideuteriomethyl)carbamoyl]phenyl]-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxylate;methyl 2-sulfanylacetate;1,1,1-trideuterio-N-methylmethanamine (CID 164984759) is 4-bromobenzoic acid;4-bromo-N,N-bis(trideuteriomethyl)benzamide;tert-butyl 4-[4-[bis(trideuteriomethyl)carbamoyl]phenyl]-1,4-diazepane-1-carboxylate;tert-butyl formate;4-[4-(2-chloro-3-cyano-4-pyridinyl)-1,4-diazepan-1-yl]-N,N-bis(trideuteriomethyl)benzamide;1,4-diazepane;4-(1,4-diazepan-1-yl)-N,N-bis(trideuteriomethyl)benzamide;2,4-dichloropyridine-3-carbonitrile;ethane;methyl 3-amino-4-[4-[4-[bis(trideuteriomethyl)carbamoyl]phenyl]-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxylate;methyl 2-sulfanylacetate;1,1,1-trideuterio-N-methylmethanamine.
What is the SMILES notation for 4-bromobenzoic acid;4-bromo-N,N-bis(trideuteriomethyl)benzamide;tert-butyl 4-[4-[bis(trideuteriomethyl)carbamoyl]phenyl]-1,4-diazepane-1-carboxylate;tert-butyl formate;4-[4-(2-chloro-3-cyano-4-pyridinyl)-1,4-diazepan-1-yl]-N,N-bis(trideuteriomethyl)benzamide;1,4-diazepane;4-(1,4-diazepan-1-yl)-N,N-bis(trideuteriomethyl)benzamide;2,4-dichloropyridine-3-carbonitrile;ethane;methyl 3-amino-4-[4-[4-[bis(trideuteriomethyl)carbamoyl]phenyl]-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxylate;methyl 2-sulfanylacetate;1,1,1-trideuterio-N-methylmethanamine?
The canonical SMILES for 4-bromobenzoic acid;4-bromo-N,N-bis(trideuteriomethyl)benzamide;tert-butyl 4-[4-[bis(trideuteriomethyl)carbamoyl]phenyl]-1,4-diazepane-1-carboxylate;tert-butyl formate;4-[4-(2-chloro-3-cyano-4-pyridinyl)-1,4-diazepan-1-yl]-N,N-bis(trideuteriomethyl)benzamide;1,4-diazepane;4-(1,4-diazepan-1-yl)-N,N-bis(trideuteriomethyl)benzamide;2,4-dichloropyridine-3-carbonitrile;ethane;methyl 3-amino-4-[4-[4-[bis(trideuteriomethyl)carbamoyl]phenyl]-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxylate;methyl 2-sulfanylacetate;1,1,1-trideuterio-N-methylmethanamine is C1CNCCNC1.CC.CC(C)(C)OC=O.COC(=O)CS.N#Cc1c(Cl)ccnc1Cl.O=C(O)c1ccc(Br)cc1.[2H]C([2H])([2H])N(C(=O)c1ccc(Br)cc1)C([2H])([2H])[2H].[2H]C([2H])([2H])N(C(=O)c1ccc(N2CCCN(C(=O)OC(C)(C)C)CC2)cc1)C([2H])([2H])[2H].[2H]C([2H])([2H])N(C(=O)c1ccc(N2CCCN(c3ccnc(Cl)c3C#N)CC2)cc1)C([2H])([2H])[2H].[2H]C([2H])([2H])N(C(=O)c1ccc(N2CCCN(c3ccnc4sc(C(=O)OC)c(N)c34)CC2)cc1)C([2H])([2H])[2H].[2H]C([2H])([2H])N(C(=O)c1ccc(N2CCCNCC2)cc1)C([2H])([2H])[2H].[2H]C([2H])([2H])NC.
What is the InChIKey of 4-bromobenzoic acid;4-bromo-N,N-bis(trideuteriomethyl)benzamide;tert-butyl 4-[4-[bis(trideuteriomethyl)carbamoyl]phenyl]-1,4-diazepane-1-carboxylate;tert-butyl formate;4-[4-(2-chloro-3-cyano-4-pyridinyl)-1,4-diazepan-1-yl]-N,N-bis(trideuteriomethyl)benzamide;1,4-diazepane;4-(1,4-diazepan-1-yl)-N,N-bis(trideuteriomethyl)benzamide;2,4-dichloropyridine-3-carbonitrile;ethane;methyl 3-amino-4-[4-[4-[bis(trideuteriomethyl)carbamoyl]phenyl]-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxylate;methyl 2-sulfanylacetate;1,1,1-trideuterio-N-methylmethanamine?
The InChIKey is FZPPJAQTWHRUJF-AIPASVFWSA-N. The full InChI is InChI=1S/C23H27N5O3S.C20H22ClN5O.C19H29N3O3.C14H21N3O.C9H10BrNO.C7H5BrO2.C6H2Cl2N2.C5H12N2.C5H10O2.C3H6O2S.C2H7N.C2H6/c1-26(2)22(29)15-5-7-16(8-6-15)27-11-4-12-28(14-13-27)17-9-10-25-21-18(17)19(24)20(32-21)23(30)31-3;1-24(2)20(27)15-4-6-16(7-5-15)25-10-3-11-26(13-12-25)18-8-9-23-19(21)17(18)14-22;1-19(2,3)25-18(24)22-12-6-11-21(13-14-22)16-9-7-15(8-10-16)17(23)20(4)5;1-16(2)14(18)12-4-6-13(7-5-12)17-10-3-8-15-9-11-17;1-11(2)9(12)7-3-5-8(10)6-4-7;8-6-3-1-5(2-4-6)7(9)10;7-5-1-2-10-6(8)4(5)3-9;1-2-6-4-5-7-3-1;1-5(2,3)7-4-6;1-5-3(4)2-6;1-3-2;1-2/h5-10H,4,11-14,24H2,1-3H3;4-9H,3,10-13H2,1-2H3;7-10H,6,11-14H2,1-5H3;4-7,15H,3,8-11H2,1-2H3;3-6H,1-2H3;1-4H,(H,9,10);1-2H;6-7H,1-5H2;4H,1-3H3;6H,2H2,1H3;3H,1-2H3;1-2H3/i2*1D3,2D3;4D3,5D3;2*1D3,2D3;;;;;;1D3;.
What are the key properties of 4-bromobenzoic acid;4-bromo-N,N-bis(trideuteriomethyl)benzamide;tert-butyl 4-[4-[bis(trideuteriomethyl)carbamoyl]phenyl]-1,4-diazepane-1-carboxylate;tert-butyl formate;4-[4-(2-chloro-3-cyano-4-pyridinyl)-1,4-diazepan-1-yl]-N,N-bis(trideuteriomethyl)benzamide;1,4-diazepane;4-(1,4-diazepan-1-yl)-N,N-bis(trideuteriomethyl)benzamide;2,4-dichloropyridine-3-carbonitrile;ethane;methyl 3-amino-4-[4-[4-[bis(trideuteriomethyl)carbamoyl]phenyl]-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxylate;methyl 2-sulfanylacetate;1,1,1-trideuterio-N-methylmethanamine?
4-bromobenzoic acid;4-bromo-N,N-bis(trideuteriomethyl)benzamide;tert-butyl 4-[4-[bis(trideuteriomethyl)carbamoyl]phenyl]-1,4-diazepane-1-carboxylate;tert-butyl formate;4-[4-(2-chloro-3-cyano-4-pyridinyl)-1,4-diazepan-1-yl]-N,N-bis(trideuteriomethyl)benzamide;1,4-diazepane;4-(1,4-diazepan-1-yl)-N,N-bis(trideuteriomethyl)benzamide;2,4-dichloropyridine-3-carbonitrile;ethane;methyl 3-amino-4-[4-[4-[bis(trideuteriomethyl)carbamoyl]phenyl]-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxylate;methyl 2-sulfanylacetate;1,1,1-trideuterio-N-methylmethanamine has a molecular weight of 2451.16 g/mol, XLogP of 18.17, 26 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobenzoic acid;4-bromo-N,N-bis(trideuteriomethyl)benzamide;tert-butyl 4-[4-[bis(trideuteriomethyl)carbamoyl]phenyl]-1,4-diazepane-1-carboxylate;tert-butyl formate;4-[4-(2-chloro-3-cyano-4-pyridinyl)-1,4-diazepan-1-yl]-N,N-bis(trideuteriomethyl)benzamide;1,4-diazepane;4-(1,4-diazepan-1-yl)-N,N-bis(trideuteriomethyl)benzamide;2,4-dichloropyridine-3-carbonitrile;ethane;methyl 3-amino-4-[4-[4-[bis(trideuteriomethyl)carbamoyl]phenyl]-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxylate;methyl 2-sulfanylacetate;1,1,1-trideuterio-N-methylmethanamine is sourced from PubChem (CID 164984759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).