Chemical ID: 4900797

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)C(C)(C)C)c5nnc(s5)CC(C)C
Chemical ID:
4900797
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)C(C)(C)C)c5nnc(s5)CC(C)C
InChi [?]:
InChI=1/C28H29N3O3S/c1-15(2)13-21-29-30-27(35-21)31-23(17-8-10-18(11-9-17)28(4,5)6)22-24(32)19-14-16(3)7-12-20(19)34-25(22)26(31)33/h7-12,14-15,23H,13H2,1-6H3
InChi Info:
AuxInfo=1/0/N:34,35,1,24,25,26,3,18,22,19,21,4,32,7,33,2,17,20,6,5,30,10,16,8,11,13,27,23,29,28,15,9,14,12,31/E:(1,2)(4,5,6)(8,9)(10,11)/rA:35cCCCCCCCCOCCOCONCCCCCCCCCCCCNNCSCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s20;s23;s23;s23;s15;d27;s28;d29;s27s30;s30;s32;s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H29N3O3S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:14.5725
Area:716.737
Solvation:-3.3459
Coulombic:-41.4259
Bond Count [?]
All:39
Single:28
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:487.614
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:7.08
LogP (Chemaxon):5.99

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