Chemical ID: 6199433

CC12CC(c3cc(ccc3O1)Br)NC(=O)N2C4CCCCC4
Chemical ID:
6199433
Name [?]:
None
SMILES [?]:
CC12CC(c3cc(ccc3O1)Br)NC(=O)N2C4CCCCC4
InChi [?]:
InChI=1/C17H21BrN2O2/c1-17-10-14(13-9-11(18)7-8-15(13)22-17)19-16(21)20(17)12-5-3-2-4-6-12/h7-9,12,14H,2-6,10H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,18,22,8,9,6,3,7,17,5,4,10,14,2,12,13,16,15,11/E:(3,4)(5,6)/rA:22cCCCCCCCCCCOBrNCONCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s7;s4;s13;d14;s2s14;s16;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21BrN2O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:9.40005
Area:465.951
Solvation:-2.24874
Coulombic:-39.6539
Bond Count [?]
All:25
Single:21
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:365.265
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.38
LogP (Chemaxon):4.25

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