Chemical ID: 4390849

CCCOc1ccc(cc1C)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)N(C)C)CCCN(C)C)O
Chemical ID:
4390849
Name [?]:
5-(4-dimethylaminophenyl)-1-(3-dimethylaminopropyl)-3-hydroxy-4-(3-methyl-4-propoxy-benzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1ccc(cc1C)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)N(C)C)CCCN(C)C)O
InChi [?]:
InChI=1/C28H37N3O4/c1-7-17-35-23-14-11-21(18-19(23)2)26(32)24-25(20-9-12-22(13-10-20)30(5)6)31(28(34)27(24)33)16-8-15-29(3)4/h9-14,18,25,33H,7-8,15-17H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,11,33,34,27,28,2,30,21,25,7,22,24,6,31,29,3,9,10,20,8,23,5,14,19,12,15,16,32,26,18,13,35,17,4/E:(3,4)(5,6)(9,10)(12,13)/rA:35cCCCOCCCCCCCCOCCCONCCCCCCCNCCCCCNCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s8;d12;s12;d14;s15;d16;s16;s14s18;s19;s20;d21;s22;d23;d20s24;s23;s26;s26;s18;s29;s30;s31;s32;s32;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H37N3O4
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:13.3886
Area:775.614
Solvation:-6.00171
Coulombic:-61.5104
Bond Count [?]
All:37
Single:28
Double:9
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:479.611
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.54
LogP (Chemaxon):0.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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