Chemical ID: 4572182

CCCN1CC(=O)N2C(C1=O)Cc3c4ccccc4[nH]c3C2c5cccc(c5OC)OC
Chemical ID:
4572182
Name [?]:
None
SMILES [?]:
CCCN1CC(=O)N2C(C1=O)Cc3c4ccccc4[nH]c3C2c5cccc(c5OC)OC
InChi [?]:
InChI=1/C25H27N3O4/c1-4-12-27-14-21(29)28-19(25(27)30)13-17-15-8-5-6-10-18(15)26-22(17)23(28)16-9-7-11-20(31-2)24(16)32-3/h5-11,19,23,26H,4,12-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,32,30,2,16,17,25,15,24,18,26,3,12,5,14,23,13,19,9,27,6,21,22,28,10,20,4,8,7,11,31,29/rA:32cCCCNCCONCCOCCCCCCCCNCCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s4s9;d10;s9;s12;s13;s14;d15;s16;d17;d14s18;s19;d13s20;s8s21;s22;s23;d24;s25;d26;d23s27;s28;s29;s27;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H27N3O4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:2
ZAP Information [?]
Total:9.65565
Area:618.619
Solvation:-5.80983
Coulombic:-60.3363
Bond Count [?]
All:36
Single:27
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:433.5
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.29
LogP (Chemaxon):2.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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