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Chemical ID: 6432312

CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)c2ccc3c(c2)OCCO3)c4cccc5c4cccc5

Chemical ID:

6432312

Name [?]:

1-(2-diethylaminoethyl)-4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-3-hydroxy-5-(1-naphthyl)-5H-pyrrol-2-one

SMILES [?]:

CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)c2ccc3c(c2)OCCO3)c4cccc5c4cccc5

InChi [?]:

InChI=1/C29H30N2O5/c1-3-30(4-2)14-15-31-26(22-11-7-9-19-8-5-6-10-21(19)22)25(28(33)29(31)34)27(32)20-12-13-23-24(18-20)36-17-16-35-23/h5-13,18,26,33H,3-4,14-17H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,5,2,4,35,34,29,36,30,33,28,18,19,6,7,25,24,22,31,17,32,27,20,21,10,9,15,11,12,3,8,16,14,13,26,23/E:(1,2)(3,4)/rA:36cCCNCCCCNCCCCOOCOCCCCCCOCCOCCCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s8s11;d12;s11;s10;d15;s15;s17;d18;s19;d20;d17s21;s21;s23;s24;s20s25;s9;s27;d28;s29;d30;d27s31;s32;d33;s34;s31d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₃₀N₂O₅
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	1

ZAP Information [?]

Total:	11.5639
Area:	697.197
Solvation:	-5.86602
Coulombic:	-65.3654

Bond Count [?]

All:	40
Single:	29
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	486.559
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	4.78
LogP (Chemaxon):	0.63

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value