Chemical ID: 7034190

CCCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)OCCC(C)C)CCCN(C)C)O
Chemical ID:
7034190
Name [?]:
1-(3-dimethylaminopropyl)-3-hydroxy-5-(3-isopentyloxyphenyl)-4-(4-propoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)OCCC(C)C)CCCN(C)C)O
InChi [?]:
InChI=1/C30H40N2O5/c1-6-18-36-24-13-11-22(12-14-24)28(33)26-27(32(30(35)29(26)34)17-8-16-31(4)5)23-9-7-10-25(20-23)37-19-15-21(2)3/h7,9-14,20-21,27,34H,6,8,15-19H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,29,30,35,36,2,21,32,20,22,7,9,6,10,27,33,31,3,26,24,28,8,19,5,23,13,18,11,14,15,34,17,12,37,16,4,25/E:(2,3)(4,5)(11,12)(13,14)/rA:37cCCCOCCCCCCCOCCCONCCCCCCCOCCCCCCCCNCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s23;s25;s26;s27;s28;s28;s17;s31;s32;s33;s34;s34;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H40N2O5
All Atoms:77
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:14.2987
Area:832.552
Solvation:-6.51508
Coulombic:-64.1508
Bond Count [?]
All:39
Single:30
Double:9
Rotors:14
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:508.649
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.88
LogP (Chemaxon):1.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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