Chemical ID: 7432778

CCN(CC)CCCN1C(c2c(=O)c3cc(ccc3oc2C1=O)Br)c4ccc(cc4)C
Chemical ID:
7432778
Name [?]:
None
SMILES [?]:
CCN(CC)CCCN1C(c2c(=O)c3cc(ccc3oc2C1=O)Br)c4ccc(cc4)C
InChi [?]:
InChI=1/C25H27BrN2O3/c1-4-27(5-2)13-6-14-28-22(17-9-7-16(3)8-10-17)21-23(29)19-15-18(26)11-12-20(19)31-24(21)25(28)30/h7-12,15,22H,4-6,13-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,31,2,4,7,27,29,26,30,17,18,6,8,15,28,25,16,14,19,11,10,12,21,22,24,3,9,13,23,20/E:(1,2)(4,5)(7,8)(9,10)/rA:31cCCNCCCCCNCCCOCCCCCCOCCOBrCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s9s21;d22;s16;s10;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H27BrN2O3
All Atoms:58
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.6108
Area:644.305
Solvation:-3.49686
Coulombic:-40.738
Bond Count [?]
All:34
Single:25
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:483.398
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.71
LogP (Chemaxon):4.63

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Descriptor Annotations

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