Chemical ID: 6431704

CCOc1ccc(cc1C)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)N(C)C)CCCN(C)C)O
Chemical ID:
6431704
Name [?]:
5-(4-dimethylaminophenyl)-1-(3-dimethylaminopropyl)-4-(4-ethoxy-3-methyl-benzoyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1C)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)N(C)C)CCCN(C)C)O
InChi [?]:
InChI=1/C27H35N3O4/c1-7-34-22-14-11-20(17-18(22)2)25(31)23-24(19-9-12-21(13-10-19)29(5)6)30(27(33)26(23)32)16-8-15-28(3)4/h9-14,17,24,32H,7-8,15-16H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,10,32,33,26,27,2,29,20,24,6,21,23,5,30,28,8,9,19,7,22,4,13,18,11,14,15,31,25,17,12,34,16,3/E:(3,4)(5,6)(9,10)(12,13)/rA:34cCCOCCCCCCCCOCCCONCCCCCCCNCCCCCNCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s22;s25;s25;s17;s28;s29;s30;s31;s31;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H35N3O4
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:12.6411
Area:748.422
Solvation:-6.06944
Coulombic:-61.0127
Bond Count [?]
All:36
Single:27
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:465.585
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.18
LogP (Chemaxon):0.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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