Chemical ID: 7017663

CCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccccc3)CCCN(CC)CC)O
Chemical ID:
7017663
Name [?]:
1-(3-diethylaminopropyl)-3-hydroxy-5-phenyl-4-(3-propoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccccc3)CCCN(CC)CC)O
InChi [?]:
InChI=1/C27H34N2O4/c1-4-18-33-22-15-10-14-21(19-22)25(30)23-24(20-12-8-7-9-13-20)29(27(32)26(23)31)17-11-16-28(5-2)6-3/h7-10,12-15,19,24,31H,4-6,11,16-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,32,2,29,31,22,21,23,7,26,20,24,8,6,27,25,3,10,19,9,5,13,18,11,14,15,28,17,12,33,16,4/E:(2,3)(5,6)(8,9)(12,13)/rA:33cCCCOCCCCCCCOCCCONCCCCCCCCCCNCCCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s17;s25;s26;s27;s28;s29;s28;s31;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H34N2O4
All Atoms:67
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:13.19
Area:740.715
Solvation:-5.32788
Coulombic:-56.9042
Bond Count [?]
All:35
Single:26
Double:9
Rotors:12
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:450.57
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.95
LogP (Chemaxon):0.58

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Descriptor Annotations

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