Chemical ID: 7029711

CCc1ccc(cc1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4ccc5c(c4)OCCO5
Chemical ID:
7029711
Name [?]:
4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-5-(4-ethylphenyl)-3-hydroxy-1-(2-morpholinoethyl)-5H-pyrrol-2-one
SMILES [?]:
CCc1ccc(cc1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4ccc5c(c4)OCCO5
InChi [?]:
InChI=1/C27H30N2O6/c1-2-18-3-5-19(6-4-18)24-23(25(30)20-7-8-21-22(17-20)35-16-15-34-21)26(31)27(32)29(24)10-9-28-11-13-33-14-12-28/h3-8,17,24,31H,2,9-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,4,8,5,7,27,28,16,15,18,22,19,21,34,33,31,3,6,26,29,30,10,9,24,11,12,17,14,25,23,13,20,35,32/E:(3,4)(5,6)(11,12)(13,14)/rA:35cCCCCCCCCCCCCONCCNCCOCCOCOCCCCCCOCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;s9s12;s14;s15;s16;s17;s18;s19;s20;s17s21;s11;s10;d24;s24;s26;d27;s28;d29;d26s30;s30;s32;s33;s29s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H30N2O6
All Atoms:65
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:10.8558
Area:721.352
Solvation:-7.178
Coulombic:-72.2222
Bond Count [?]
All:39
Single:30
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:478.537
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.17
LogP (Chemaxon):0.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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