Chemical ID: 7022823

CCCCCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCN(C)C)O)C(=O)c3ccc(cc3)OCCC
Chemical ID:
7022823
Name [?]:
1-(2-dimethylaminoethyl)-3-hydroxy-5-(3-methoxy-4-pentoxy-phenyl)-4-(4-propoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCN(C)C)O)C(=O)c3ccc(cc3)OCCC
InChi [?]:
InChI=1/C30H40N2O6/c1-6-8-9-19-38-24-15-12-22(20-25(24)36-5)27-26(29(34)30(35)32(27)17-16-31(3)4)28(33)21-10-13-23(14-11-21)37-18-7-2/h10-15,20,27,34H,6-9,16-19H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,38,24,25,14,2,37,3,4,30,34,9,31,33,8,22,21,36,5,11,29,10,32,7,12,16,15,27,17,18,23,20,28,26,19,13,35,6/E:(3,4)(10,11)(13,14)/rA:38cCCCCCOCCCCCCOCCCCCONCCNCCOCOCCCCCCOCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;s15;d16;s17;d18;s15s18;s20;s21;s22;s23;s23;s17;s16;d27;s27;s29;d30;s31;d32;d29s33;s32;s35;s36;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H40N2O6
All Atoms:78
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:12.1787
Area:840.669
Solvation:-8.83799
Coulombic:-70.0823
Bond Count [?]
All:40
Single:31
Double:9
Rotors:15
Chiral:0
Rigid Segments:12
Chemical Properties
Molecular Weight:524.648
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:5.23
LogP (Chemaxon):1.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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