3-[bis(2-hydroxyethyl)amino]-1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]propan-1-one;3-(diethylamino)-1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-dodecylsulfanylpropan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-[ethyl(2-hydroxyethyl)amino]propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-(2-hydroxyethylsulfanyl)propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one;2-[3-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-oxopropyl]sulfanylacetic acid;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one

C127H193N29O30S3 — CID 160926827

IUPAC3-[bis(2-hydroxyethyl)amino]-1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]propan-1-one;3-(diethylamino)-1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-dodecylsulfanylpropan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-[ethyl(2-hydroxyethyl)amino]propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-(2-hydroxyethylsulfanyl)propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one;2-[3-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-oxopropyl]sulfanylacetic acid;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CN(C(=O)C=C)CN(C(=O)C=C)C1.C=CC(=O)N1CN(C(=O)C=C)CN(C(=O)CCN(CC)CC)C1.C=CC(=O)N1CN(C(=O)C=C)CN(C(=O)CCN(CC)CCO)C1.C=CC(=O)N1CN(C(=O)C=C)CN(C(=O)CCN(CCO)CCO)C1.C=CC(=O)N1CN(C(=O)C=C)CN(C(=O)CCSCC(=O)O)C1.C=CC(=O)N1CN(C(=O)C=C)CN(C(=O)CCSCCCCCCCCCCCC)C1.C=CC(=O)N1CN(C(=O)C=C)CN(C(=O)CCSCCO)C1.C=CC(=O)N1CN(C(=O)C=C)CN(C(=O)CCn2ccnc2)C1
InChIInChI=1S/C24H41N3O3S.C16H26N4O5.C16H26N4O4.C16H26N4O3.C15H19N5O3.C14H19N3O5S.C14H21N3O4S.C12H15N3O3/c1-4-7-8-9-10-11-12-13-14-15-17-31-18-16-24(30)27-20-25(22(28)5-2)19-26(21-27)23(29)6-3;1-3-14(23)18-11-19(15(24)4-2)13-20(12-18)16(25)5-6-17(7-9-21)8-10-22;1-4-14(22)18-11-19(15(23)5-2)13-20(12-18)16(24)7-8-17(6-3)9-10-21;1-5-14(21)18-11-19(15(22)6-2)13-20(12-18)16(23)9-10-17(7-3)8-4;1-3-13(21)18-10-19(14(22)4-2)12-20(11-18)15(23)5-7-17-8-6-16-9-17;1-3-11(18)15-8-16(12(19)4-2)10-17(9-15)13(20)5-6-23-7-14(21)22;1-3-12(19)15-9-16(13(20)4-2)11-17(10-15)14(21)5-7-22-8-6-18;1-4-10(16)13-7-14(11(17)5-2)9-15(8-13)12(18)6-3/h5-6H,2-4,7-21H2,1H3;3-4,21-22H,1-2,5-13H2;4-5,21H,1-2,6-13H2,3H3;5-6H,1-2,7-13H2,3-4H3;3-4,6,8-9H,1-2,5,7,10-12H2;3-4H,1-2,5-10H2,(H,21,22);3-4,18H,1-2,5-11H2;4-6H,1-3,7-9H2
InChIKeySSTGHLBMSBDCKY-UHFFFAOYSA-N
MW2702.31 g/mol
LogP2.80
Rot. Bonds62

About 3-[bis(2-hydroxyethyl)amino]-1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]propan-1-one;3-(diethylamino)-1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-dodecylsulfanylpropan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-[ethyl(2-hydroxyethyl)amino]propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-(2-hydroxyethylsulfanyl)propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one;2-[3-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-oxopropyl]sulfanylacetic acid;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one

3-[bis(2-hydroxyethyl)amino]-1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]propan-1-one;3-(diethylamino)-1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-dodecylsulfanylpropan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-[ethyl(2-hydroxyethyl)amino]propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-(2-hydroxyethylsulfanyl)propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one;2-[3-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-oxopropyl]sulfanylacetic acid;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one (PubChem CID 160926827) has the molecular formula C127H193N29O30S3 and a molecular weight of 2702.31 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]-1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]propan-1-one;3-(diethylamino)-1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-dodecylsulfanylpropan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-[ethyl(2-hydroxyethyl)amino]propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-(2-hydroxyethylsulfanyl)propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one;2-[3-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-oxopropyl]sulfanylacetic acid;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]-1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]propan-1-one;3-(diethylamino)-1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-dodecylsulfanylpropan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-[ethyl(2-hydroxyethyl)amino]propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-(2-hydroxyethylsulfanyl)propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one;2-[3-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-oxopropyl]sulfanylacetic acid;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one
PubChem CID160926827
Molecular FormulaC127H193N29O30S3
Molecular Weight2702.31 g/mol
Exact Mass2700.36
IUPAC Name3-[bis(2-hydroxyethyl)amino]-1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]propan-1-one;3-(diethylamino)-1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-dodecylsulfanylpropan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-[ethyl(2-hydroxyethyl)amino]propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-(2-hydroxyethylsulfanyl)propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one;2-[3-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-oxopropyl]sulfanylacetic acid;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CN(C(=O)C=C)CN(C(=O)C=C)C1.C=CC(=O)N1CN(C(=O)C=C)CN(C(=O)CCN(CC)CC)C1.C=CC(=O)N1CN(C(=O)C=C)CN(C(=O)CCN(CC)CCO)C1.C=CC(=O)N1CN(C(=O)C=C)CN(C(=O)CCN(CCO)CCO)C1.C=CC(=O)N1CN(C(=O)C=C)CN(C(=O)CCSCC(=O)O)C1.C=CC(=O)N1CN(C(=O)C=C)CN(C(=O)CCSCCCCCCCCCCCC)C1.C=CC(=O)N1CN(C(=O)C=C)CN(C(=O)CCSCCO)C1.C=CC(=O)N1CN(C(=O)C=C)CN(C(=O)CCn2ccnc2)C1
InChIInChI=1S/C24H41N3O3S.C16H26N4O5.C16H26N4O4.C16H26N4O3.C15H19N5O3.C14H19N3O5S.C14H21N3O4S.C12H15N3O3/c1-4-7-8-9-10-11-12-13-14-15-17-31-18-16-24(30)27-20-25(22(28)5-2)19-26(21-27)23(29)6-3;1-3-14(23)18-11-19(15(24)4-2)13-20(12-18)16(25)5-6-17(7-9-21)8-10-22;1-4-14(22)18-11-19(15(23)5-2)13-20(12-18)16(24)7-8-17(6-3)9-10-21;1-5-14(21)18-11-19(15(22)6-2)13-20(12-18)16(23)9-10-17(7-3)8-4;1-3-13(21)18-10-19(14(22)4-2)12-20(11-18)15(23)5-7-17-8-6-16-9-17;1-3-11(18)15-8-16(12(19)4-2)10-17(9-15)13(20)5-6-23-7-14(21)22;1-3-12(19)15-9-16(13(20)4-2)11-17(10-15)14(21)5-7-22-8-6-18;1-4-10(16)13-7-14(11(17)5-2)9-15(8-13)12(18)6-3/h5-6H,2-4,7-21H2,1H3;3-4,21-22H,1-2,5-13H2;4-5,21H,1-2,6-13H2,3H3;5-6H,1-2,7-13H2,3-4H3;3-4,6,8-9H,1-2,5,7,10-12H2;3-4H,1-2,5-10H2,(H,21,22);3-4,18H,1-2,5-11H2;4-6H,1-3,7-9H2
InChIKeySSTGHLBMSBDCKY-UHFFFAOYSA-N
XLogP2.80
TPSA633.20 Ų
H-Bond Donors5
H-Bond Acceptors37
Rotatable Bonds62
Heavy Atoms189
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002702.31
LogP ≤ 52.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[bis(2-hydroxyethyl)amino]-1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]propan-1-one;3-(diethylamino)-1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-dodecylsulfanylpropan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-[ethyl(2-hydroxyethyl)amino]propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-(2-hydroxyethylsulfanyl)propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one;2-[3-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-oxopropyl]sulfanylacetic acid;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one with MolForge

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Launch Full Analysis

Related Compounds

3-imidazol-1-yl-1-[3-(3-imidazol-1-ylpropanoyl)-5-prop-2-enoyl-1,3,5-triazinan-1-yl]propan-1-one
CID 118048034
1-[3-[3-(4,5-didehydroimidazol-1-yl)propanoyl]-5-prop-2-enoyl-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one
CID 144840593
1-[3,5-bis(3-imidazol-1-ylpropanoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one
CID 118048041
3-[3-imidazol-1-ylpropyl(pentyl)amino]propanoic acid
CID 82328294
2-(3-imidazol-1-ylpropylsulfanyl)ethanol
CID 61492872
carbonic acid;1-dodecylimidazole
CID 175596781
acetic acid;1-decylimidazole
CID 175546754
1-imidazol-1-yl-2-tetradecylsulfanylethanone
CID 58641080
N,N-didecyl-10-[[10-(didecylamino)-10-oxodecyl]-(3-imidazol-1-ylpropyl)amino]decanamide
CID 168943789
3-[ethyl(2-imidazol-1-ylethyl)amino]-2-methylpropanoic acid
CID 62852980
ethyl 5-(3-imidazol-1-ylpropylsulfanyl)pentanoate
CID 154764766
1-(3-imidazol-1-ylpropanoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125704

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)amino]-1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]propan-1-one;3-(diethylamino)-1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-dodecylsulfanylpropan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-[ethyl(2-hydroxyethyl)amino]propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-(2-hydroxyethylsulfanyl)propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one;2-[3-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-oxopropyl]sulfanylacetic acid;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]-1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]propan-1-one;3-(diethylamino)-1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-dodecylsulfanylpropan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-[ethyl(2-hydroxyethyl)amino]propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-(2-hydroxyethylsulfanyl)propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one;2-[3-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-oxopropyl]sulfanylacetic acid;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one (CID 160926827) is 3-[bis(2-hydroxyethyl)amino]-1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]propan-1-one;3-(diethylamino)-1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-dodecylsulfanylpropan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-[ethyl(2-hydroxyethyl)amino]propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-(2-hydroxyethylsulfanyl)propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one;2-[3-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-oxopropyl]sulfanylacetic acid;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]-1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]propan-1-one;3-(diethylamino)-1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-dodecylsulfanylpropan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-[ethyl(2-hydroxyethyl)amino]propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-(2-hydroxyethylsulfanyl)propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one;2-[3-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-oxopropyl]sulfanylacetic acid;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]-1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]propan-1-one;3-(diethylamino)-1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-dodecylsulfanylpropan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-[ethyl(2-hydroxyethyl)amino]propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-(2-hydroxyethylsulfanyl)propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one;2-[3-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-oxopropyl]sulfanylacetic acid;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one is C=CC(=O)N1CN(C(=O)C=C)CN(C(=O)C=C)C1.C=CC(=O)N1CN(C(=O)C=C)CN(C(=O)CCN(CC)CC)C1.C=CC(=O)N1CN(C(=O)C=C)CN(C(=O)CCN(CC)CCO)C1.C=CC(=O)N1CN(C(=O)C=C)CN(C(=O)CCN(CCO)CCO)C1.C=CC(=O)N1CN(C(=O)C=C)CN(C(=O)CCSCC(=O)O)C1.C=CC(=O)N1CN(C(=O)C=C)CN(C(=O)CCSCCCCCCCCCCCC)C1.C=CC(=O)N1CN(C(=O)C=C)CN(C(=O)CCSCCO)C1.C=CC(=O)N1CN(C(=O)C=C)CN(C(=O)CCn2ccnc2)C1.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]-1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]propan-1-one;3-(diethylamino)-1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-dodecylsulfanylpropan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-[ethyl(2-hydroxyethyl)amino]propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-(2-hydroxyethylsulfanyl)propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one;2-[3-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-oxopropyl]sulfanylacetic acid;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one?
The InChIKey is SSTGHLBMSBDCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N3O3S.C16H26N4O5.C16H26N4O4.C16H26N4O3.C15H19N5O3.C14H19N3O5S.C14H21N3O4S.C12H15N3O3/c1-4-7-8-9-10-11-12-13-14-15-17-31-18-16-24(30)27-20-25(22(28)5-2)19-26(21-27)23(29)6-3;1-3-14(23)18-11-19(15(24)4-2)13-20(12-18)16(25)5-6-17(7-9-21)8-10-22;1-4-14(22)18-11-19(15(23)5-2)13-20(12-18)16(24)7-8-17(6-3)9-10-21;1-5-14(21)18-11-19(15(22)6-2)13-20(12-18)16(23)9-10-17(7-3)8-4;1-3-13(21)18-10-19(14(22)4-2)12-20(11-18)15(23)5-7-17-8-6-16-9-17;1-3-11(18)15-8-16(12(19)4-2)10-17(9-15)13(20)5-6-23-7-14(21)22;1-3-12(19)15-9-16(13(20)4-2)11-17(10-15)14(21)5-7-22-8-6-18;1-4-10(16)13-7-14(11(17)5-2)9-15(8-13)12(18)6-3/h5-6H,2-4,7-21H2,1H3;3-4,21-22H,1-2,5-13H2;4-5,21H,1-2,6-13H2,3H3;5-6H,1-2,7-13H2,3-4H3;3-4,6,8-9H,1-2,5,7,10-12H2;3-4H,1-2,5-10H2,(H,21,22);3-4,18H,1-2,5-11H2;4-6H,1-3,7-9H2.
What are the key properties of 3-[bis(2-hydroxyethyl)amino]-1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]propan-1-one;3-(diethylamino)-1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-dodecylsulfanylpropan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-[ethyl(2-hydroxyethyl)amino]propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-(2-hydroxyethylsulfanyl)propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one;2-[3-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-oxopropyl]sulfanylacetic acid;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one?
3-[bis(2-hydroxyethyl)amino]-1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]propan-1-one;3-(diethylamino)-1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-dodecylsulfanylpropan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-[ethyl(2-hydroxyethyl)amino]propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-(2-hydroxyethylsulfanyl)propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one;2-[3-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-oxopropyl]sulfanylacetic acid;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one has a molecular weight of 2702.31 g/mol, XLogP of 2.80, 62 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)amino]-1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]propan-1-one;3-(diethylamino)-1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-dodecylsulfanylpropan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-[ethyl(2-hydroxyethyl)amino]propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-(2-hydroxyethylsulfanyl)propan-1-one;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one;2-[3-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-oxopropyl]sulfanylacetic acid;1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one is sourced from PubChem (CID 160926827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).