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Chemical ID: 7080774

CCCCCOc1ccc(cc1OC)C2c3c(=O)c4ccccc4oc3C(=O)N2CCc5ccccc5

Chemical ID:

7080774

Name [?]:

None

SMILES [?]:

CCCCCOc1ccc(cc1OC)C2c3c(=O)c4ccccc4oc3C(=O)N2CCc5ccccc5

InChi [?]:

InChI=1/C31H31NO5/c1-3-4-10-19-36-25-16-15-22(20-26(25)35-2)28-27-29(33)23-13-8-9-14-24(23)37-30(27)31(34)32(28)18-17-21-11-6-5-7-12-21/h5-9,11-16,20,28H,3-4,10,17-19H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,14,2,3,35,34,36,21,22,4,33,37,20,23,9,8,31,30,5,11,32,10,19,24,7,12,16,15,17,26,27,29,18,28,13,6,25/E:(6,7)(11,12)/rA:37cCCCCCOCCCCCCOCCCCOCCCCCCOCCONCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;d16s25;s26;d27;s15s27;s29;s30;s31;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₁H₃₁NO₅
All Atoms:	68
Heavy Atoms:	37
Chiral Atoms:	1

ZAP Information [?]

Total:	12.6815
Area:	772.229
Solvation:	-6.62419
Coulombic:	-52.0179

Bond Count [?]

All:	41
Single:	29
Double:	12
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	497.582
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	5.77
LogP (Chemaxon):	5.78

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value