1-[3-(2-benzyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl)-1-benzothiophen-2-yl]-3-ethylurea;1-ethyl-3-[3-[2-(hydroxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-c]pyridin-2-yl]urea;1-ethyl-3-[6-methyl-3-[2-[(2-methylpropylamino)methyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;[3-[2-(methylaminomethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;methyl 3-[[8-[2-(ethylcarbamoylamino)-1-benzothiophene-3-carbonyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]methyl]benzoate

C115H132N30O18S5 — CID 162088356

IUPAC1-[3-(2-benzyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl)-1-benzothiophen-2-yl]-3-ethylurea;1-ethyl-3-[3-[2-(hydroxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-c]pyridin-2-yl]urea;1-ethyl-3-[6-methyl-3-[2-[(2-methylpropylamino)methyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;[3-[2-(methylaminomethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;methyl 3-[[8-[2-(ethylcarbamoylamino)-1-benzothiophene-3-carbonyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]methyl]benzoate
SMILESCCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC2(CC1)N=C(Cc1cccc(C(=O)OC)c1)NC2=O.CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC2(CC1)N=C(Cc1ccccc1)NC2=O.CCNC(=O)Nc1sc2cnccc2c1C(=O)N1CCC2(CC1)N=C(CO)NC2=O.CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC2(CC1)N=C(CNCC(C)C)NC2=O.CNCC1=NC2(CCN(C(=O)c3c(NC(N)=O)sc4ncccc34)CC2)C(=O)N1
InChIInChI=1S/C28H29N5O5S.C26H27N5O3S.C24H33N7O3S.C19H22N6O4S.C18H21N7O3S/c1-3-29-27(37)31-23-22(19-9-4-5-10-20(19)39-23)24(34)33-13-11-28(12-14-33)26(36)30-21(32-28)16-17-7-6-8-18(15-17)25(35)38-2;1-2-27-25(34)29-22-21(18-10-6-7-11-19(18)35-22)23(32)31-14-12-26(13-15-31)24(33)28-20(30-26)16-17-8-4-3-5-9-17;1-5-26-23(34)29-20-18(16-7-6-15(4)27-19(16)35-20)21(32)31-10-8-24(9-11-31)22(33)28-17(30-24)13-25-12-14(2)3;1-2-21-18(29)23-15-14(11-3-6-20-9-12(11)30-15)16(27)25-7-4-19(5-8-25)17(28)22-13(10-26)24-19;1-20-9-11-22-16(27)18(24-11)4-7-25(8-5-18)15(26)12-10-3-2-6-21-13(10)29-14(12)23-17(19)28/h4-10,15H,3,11-14,16H2,1-2H3,(H2,29,31,37)(H,30,32,36);3-11H,2,12-16H2,1H3,(H2,27,29,34)(H,28,30,33);6-7,14,25H,5,8-13H2,1-4H3,(H2,26,29,34)(H,28,30,33);3,6,9,26H,2,4-5,7-8,10H2,1H3,(H2,21,23,29)(H,22,24,28);2-3,6,20H,4-5,7-9H2,1H3,(H3,19,23,28)(H,22,24,27)
InChIKeyZDGRFTSJRUBGEF-UHFFFAOYSA-N
MW2382.85 g/mol
LogP11.30
Rot. Bonds26

About 1-[3-(2-benzyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl)-1-benzothiophen-2-yl]-3-ethylurea;1-ethyl-3-[3-[2-(hydroxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-c]pyridin-2-yl]urea;1-ethyl-3-[6-methyl-3-[2-[(2-methylpropylamino)methyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;[3-[2-(methylaminomethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;methyl 3-[[8-[2-(ethylcarbamoylamino)-1-benzothiophene-3-carbonyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]methyl]benzoate

1-[3-(2-benzyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl)-1-benzothiophen-2-yl]-3-ethylurea;1-ethyl-3-[3-[2-(hydroxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-c]pyridin-2-yl]urea;1-ethyl-3-[6-methyl-3-[2-[(2-methylpropylamino)methyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;[3-[2-(methylaminomethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;methyl 3-[[8-[2-(ethylcarbamoylamino)-1-benzothiophene-3-carbonyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]methyl]benzoate (PubChem CID 162088356) has the molecular formula C115H132N30O18S5 and a molecular weight of 2382.85 g/mol. Its IUPAC name is 1-[3-(2-benzyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl)-1-benzothiophen-2-yl]-3-ethylurea;1-ethyl-3-[3-[2-(hydroxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-c]pyridin-2-yl]urea;1-ethyl-3-[6-methyl-3-[2-[(2-methylpropylamino)methyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;[3-[2-(methylaminomethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;methyl 3-[[8-[2-(ethylcarbamoylamino)-1-benzothiophene-3-carbonyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]methyl]benzoate.

Molecular Properties

Compound Name1-[3-(2-benzyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl)-1-benzothiophen-2-yl]-3-ethylurea;1-ethyl-3-[3-[2-(hydroxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-c]pyridin-2-yl]urea;1-ethyl-3-[6-methyl-3-[2-[(2-methylpropylamino)methyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;[3-[2-(methylaminomethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;methyl 3-[[8-[2-(ethylcarbamoylamino)-1-benzothiophene-3-carbonyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]methyl]benzoate
PubChem CID162088356
Molecular FormulaC115H132N30O18S5
Molecular Weight2382.85 g/mol
Exact Mass2380.89
IUPAC Name1-[3-(2-benzyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl)-1-benzothiophen-2-yl]-3-ethylurea;1-ethyl-3-[3-[2-(hydroxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-c]pyridin-2-yl]urea;1-ethyl-3-[6-methyl-3-[2-[(2-methylpropylamino)methyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;[3-[2-(methylaminomethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;methyl 3-[[8-[2-(ethylcarbamoylamino)-1-benzothiophene-3-carbonyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]methyl]benzoate
SMILESCCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC2(CC1)N=C(Cc1cccc(C(=O)OC)c1)NC2=O.CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC2(CC1)N=C(Cc1ccccc1)NC2=O.CCNC(=O)Nc1sc2cnccc2c1C(=O)N1CCC2(CC1)N=C(CO)NC2=O.CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC2(CC1)N=C(CNCC(C)C)NC2=O.CNCC1=NC2(CCN(C(=O)c3c(NC(N)=O)sc4ncccc34)CC2)C(=O)N1
InChIInChI=1S/C28H29N5O5S.C26H27N5O3S.C24H33N7O3S.C19H22N6O4S.C18H21N7O3S/c1-3-29-27(37)31-23-22(19-9-4-5-10-20(19)39-23)24(34)33-13-11-28(12-14-33)26(36)30-21(32-28)16-17-7-6-8-18(15-17)25(35)38-2;1-2-27-25(34)29-22-21(18-10-6-7-11-19(18)35-22)23(32)31-14-12-26(13-15-31)24(33)28-20(30-26)16-17-8-4-3-5-9-17;1-5-26-23(34)29-20-18(16-7-6-15(4)27-19(16)35-20)21(32)31-10-8-24(9-11-31)22(33)28-17(30-24)13-25-12-14(2)3;1-2-21-18(29)23-15-14(11-3-6-20-9-12(11)30-15)16(27)25-7-4-19(5-8-25)17(28)22-13(10-26)24-19;1-20-9-11-22-16(27)18(24-11)4-7-25(8-5-18)15(26)12-10-3-2-6-21-13(10)29-14(12)23-17(19)28/h4-10,15H,3,11-14,16H2,1-2H3,(H2,29,31,37)(H,30,32,36);3-11H,2,12-16H2,1H3,(H2,27,29,34)(H,28,30,33);6-7,14,25H,5,8-13H2,1-4H3,(H2,26,29,34)(H,28,30,33);3,6,9,26H,2,4-5,7-8,10H2,1H3,(H2,21,23,29)(H,22,24,28);2-3,6,20H,4-5,7-9H2,1H3,(H3,19,23,28)(H,22,24,27)
InChIKeyZDGRFTSJRUBGEF-UHFFFAOYSA-N
XLogP11.30
TPSA637.75 Ų
H-Bond Donors18
H-Bond Acceptors33
Rotatable Bonds26
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002382.85
LogP ≤ 511.30
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1033

Analyze 1-[3-(2-benzyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl)-1-benzothiophen-2-yl]-3-ethylurea;1-ethyl-3-[3-[2-(hydroxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-c]pyridin-2-yl]urea;1-ethyl-3-[6-methyl-3-[2-[(2-methylpropylamino)methyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;[3-[2-(methylaminomethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;methyl 3-[[8-[2-(ethylcarbamoylamino)-1-benzothiophene-3-carbonyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]methyl]benzoate with MolForge

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Launch Full Analysis

Related Compounds

1-[3-(2-Benzyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl)-1-benzothiophen-2-yl]-3-ethylurea;1-ethyl-3-[3-[2-(hydroxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-c]pyridin-2-yl]urea;1-ethyl-3-[6-methyl-3-[2-[(2-methylpropylamino)methyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;[3-[2-(methylaminomethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;methyl 3-[[8-[2-(ethylcarbamoylamino)thieno[2,3-b]pyridine-3-carbonyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]methyl]benzoate
CID 160361837
4-Amino-2-benzoylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-cyclohexylthieno[3,2-c]pyridine-7-carboxamide;4-amino-3-(methoxymethyl)-2-phenylthieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(3-methoxypropyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(2-phenylethyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(1,3-thiazol-4-yl)thieno[3,2-c]pyridine-7-carboxamide
CID 160457646
2-acetamido-N-[6-ethyl-3-(4-methoxy-3-oxobutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]pyridine-4-carboxamide;2-acetamido-N-[3-(4-methoxy-3-oxobutanoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide;N-[3-(benzylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;ethyl 2-[(2-acetamidopyridine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl N-methyl-N-[2-[[3-(2-oxopropyl)benzoyl]amino]thiophene-3-carbonyl]carbamate
CID 160694352
N-[3-[5-(2-amino-4-pyridinyl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(2-methoxyethylamino)propanamide;N-[3-[5-(5-amino-3-pyridinyl)-1,3-benzothiazol-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(2-methoxyethylamino)propanamide;methyl 5-[2-[2-[3-(2-methoxyethylamino)propanoylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]-1,3-benzothiazol-5-yl]pyridine-2-carboxylate
CID 161132035

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-benzyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl)-1-benzothiophen-2-yl]-3-ethylurea;1-ethyl-3-[3-[2-(hydroxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-c]pyridin-2-yl]urea;1-ethyl-3-[6-methyl-3-[2-[(2-methylpropylamino)methyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;[3-[2-(methylaminomethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;methyl 3-[[8-[2-(ethylcarbamoylamino)-1-benzothiophene-3-carbonyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]methyl]benzoate?
The IUPAC name of 1-[3-(2-benzyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl)-1-benzothiophen-2-yl]-3-ethylurea;1-ethyl-3-[3-[2-(hydroxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-c]pyridin-2-yl]urea;1-ethyl-3-[6-methyl-3-[2-[(2-methylpropylamino)methyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;[3-[2-(methylaminomethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;methyl 3-[[8-[2-(ethylcarbamoylamino)-1-benzothiophene-3-carbonyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]methyl]benzoate (CID 162088356) is 1-[3-(2-benzyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl)-1-benzothiophen-2-yl]-3-ethylurea;1-ethyl-3-[3-[2-(hydroxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-c]pyridin-2-yl]urea;1-ethyl-3-[6-methyl-3-[2-[(2-methylpropylamino)methyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;[3-[2-(methylaminomethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;methyl 3-[[8-[2-(ethylcarbamoylamino)-1-benzothiophene-3-carbonyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]methyl]benzoate.
What is the SMILES notation for 1-[3-(2-benzyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl)-1-benzothiophen-2-yl]-3-ethylurea;1-ethyl-3-[3-[2-(hydroxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-c]pyridin-2-yl]urea;1-ethyl-3-[6-methyl-3-[2-[(2-methylpropylamino)methyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;[3-[2-(methylaminomethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;methyl 3-[[8-[2-(ethylcarbamoylamino)-1-benzothiophene-3-carbonyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]methyl]benzoate?
The canonical SMILES for 1-[3-(2-benzyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl)-1-benzothiophen-2-yl]-3-ethylurea;1-ethyl-3-[3-[2-(hydroxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-c]pyridin-2-yl]urea;1-ethyl-3-[6-methyl-3-[2-[(2-methylpropylamino)methyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;[3-[2-(methylaminomethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;methyl 3-[[8-[2-(ethylcarbamoylamino)-1-benzothiophene-3-carbonyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]methyl]benzoate is CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC2(CC1)N=C(Cc1cccc(C(=O)OC)c1)NC2=O.CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC2(CC1)N=C(Cc1ccccc1)NC2=O.CCNC(=O)Nc1sc2cnccc2c1C(=O)N1CCC2(CC1)N=C(CO)NC2=O.CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC2(CC1)N=C(CNCC(C)C)NC2=O.CNCC1=NC2(CCN(C(=O)c3c(NC(N)=O)sc4ncccc34)CC2)C(=O)N1.
What is the InChIKey of 1-[3-(2-benzyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl)-1-benzothiophen-2-yl]-3-ethylurea;1-ethyl-3-[3-[2-(hydroxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-c]pyridin-2-yl]urea;1-ethyl-3-[6-methyl-3-[2-[(2-methylpropylamino)methyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;[3-[2-(methylaminomethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;methyl 3-[[8-[2-(ethylcarbamoylamino)-1-benzothiophene-3-carbonyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]methyl]benzoate?
The InChIKey is ZDGRFTSJRUBGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O5S.C26H27N5O3S.C24H33N7O3S.C19H22N6O4S.C18H21N7O3S/c1-3-29-27(37)31-23-22(19-9-4-5-10-20(19)39-23)24(34)33-13-11-28(12-14-33)26(36)30-21(32-28)16-17-7-6-8-18(15-17)25(35)38-2;1-2-27-25(34)29-22-21(18-10-6-7-11-19(18)35-22)23(32)31-14-12-26(13-15-31)24(33)28-20(30-26)16-17-8-4-3-5-9-17;1-5-26-23(34)29-20-18(16-7-6-15(4)27-19(16)35-20)21(32)31-10-8-24(9-11-31)22(33)28-17(30-24)13-25-12-14(2)3;1-2-21-18(29)23-15-14(11-3-6-20-9-12(11)30-15)16(27)25-7-4-19(5-8-25)17(28)22-13(10-26)24-19;1-20-9-11-22-16(27)18(24-11)4-7-25(8-5-18)15(26)12-10-3-2-6-21-13(10)29-14(12)23-17(19)28/h4-10,15H,3,11-14,16H2,1-2H3,(H2,29,31,37)(H,30,32,36);3-11H,2,12-16H2,1H3,(H2,27,29,34)(H,28,30,33);6-7,14,25H,5,8-13H2,1-4H3,(H2,26,29,34)(H,28,30,33);3,6,9,26H,2,4-5,7-8,10H2,1H3,(H2,21,23,29)(H,22,24,28);2-3,6,20H,4-5,7-9H2,1H3,(H3,19,23,28)(H,22,24,27).
What are the key properties of 1-[3-(2-benzyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl)-1-benzothiophen-2-yl]-3-ethylurea;1-ethyl-3-[3-[2-(hydroxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-c]pyridin-2-yl]urea;1-ethyl-3-[6-methyl-3-[2-[(2-methylpropylamino)methyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;[3-[2-(methylaminomethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;methyl 3-[[8-[2-(ethylcarbamoylamino)-1-benzothiophene-3-carbonyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]methyl]benzoate?
1-[3-(2-benzyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl)-1-benzothiophen-2-yl]-3-ethylurea;1-ethyl-3-[3-[2-(hydroxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-c]pyridin-2-yl]urea;1-ethyl-3-[6-methyl-3-[2-[(2-methylpropylamino)methyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;[3-[2-(methylaminomethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;methyl 3-[[8-[2-(ethylcarbamoylamino)-1-benzothiophene-3-carbonyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]methyl]benzoate has a molecular weight of 2382.85 g/mol, XLogP of 11.30, 26 rotatable bonds, 18 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-benzyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl)-1-benzothiophen-2-yl]-3-ethylurea;1-ethyl-3-[3-[2-(hydroxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-c]pyridin-2-yl]urea;1-ethyl-3-[6-methyl-3-[2-[(2-methylpropylamino)methyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;[3-[2-(methylaminomethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]thieno[2,3-b]pyridin-2-yl]urea;methyl 3-[[8-[2-(ethylcarbamoylamino)-1-benzothiophene-3-carbonyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]methyl]benzoate is sourced from PubChem (CID 162088356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).